(2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

C108H120Br3ClF7N19O12 — CID 172920190

IUPAC(2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESC/C=N/O.CC1=NOC(CCl)C1.CC1=NOC2CC12.C[C@@]1(c2cc(Br)ccc2F)N=C(NC(=O)c2ccccc2)OC2C[C@H]21.C[C@@]1(c2cc(Br)ccc2F)NOC2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(N)OC2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(N)O[C@H]2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(NC(=O)c2ccccc2)OC2C[C@H]21.C[C@](N)(c1cc(Br)ccc1F)[C@@H]1CC1O.C[C@]1(c2cc(N)ccc2F)N=C(N)O[C@@H]2C[C@@H]21
InChIInChI=1S/C19H16BrFN2O2.C19H18FN3O2.3C12H14FN3O.C11H11BrFNO.C11H13BrFNO.C5H8ClNO.C5H7NO.C2H5NO/c1-19(13-9-12(20)7-8-15(13)21)14-10-16(14)25-18(23-19)22-17(24)11-5-3-2-4-6-11;1-19(13-9-12(21)7-8-15(13)20)14-10-16(14)25-18(23-19)22-17(24)11-5-3-2-4-6-11;3*1-12(7-4-6(14)2-3-9(7)13)8-5-10(8)17-11(15)16-12;1-11(8-5-10(8)15-14-11)7-4-6(12)2-3-9(7)13;1-11(14,8-5-10(8)15)7-4-6(12)2-3-9(7)13;1-4-2-5(3-6)8-7-4;1-3-4-2-5(4)7-6-3;1-2-3-4/h2-9,14,16H,10H2,1H3,(H,22,23,24);2-9,14,16H,10,21H2,1H3,(H,22,23,24);3*2-4,8,10H,5,14H2,1H3,(H2,15,16);2-4,8,10,14H,5H2,1H3;2-4,8,10,15H,5,14H2,1H3;5H,2-3H2,1H3;4-5H,2H2,1H3;2,4H,1H3/b;;;;;;;;;3-2+/t2*14-,16?,19+;8-,10?,12+;2*8-,10+,12+;2*8-,10?,11+;;;/m1111011.../s1
InChIKeyVOCDEVVDUOZGJW-VFVKAGGJSA-N
MW2284.42 g/mol
LogP18.41
Rot. Bonds11

About (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

(2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 172920190) has the molecular formula C108H120Br3ClF7N19O12 and a molecular weight of 2284.42 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID172920190
Molecular FormulaC108H120Br3ClF7N19O12
Molecular Weight2284.42 g/mol
Exact Mass2279.65
IUPAC Name(2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESC/C=N/O.CC1=NOC(CCl)C1.CC1=NOC2CC12.C[C@@]1(c2cc(Br)ccc2F)N=C(NC(=O)c2ccccc2)OC2C[C@H]21.C[C@@]1(c2cc(Br)ccc2F)NOC2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(N)OC2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(N)O[C@H]2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(NC(=O)c2ccccc2)OC2C[C@H]21.C[C@](N)(c1cc(Br)ccc1F)[C@@H]1CC1O.C[C@]1(c2cc(N)ccc2F)N=C(N)O[C@@H]2C[C@@H]21
InChIInChI=1S/C19H16BrFN2O2.C19H18FN3O2.3C12H14FN3O.C11H11BrFNO.C11H13BrFNO.C5H8ClNO.C5H7NO.C2H5NO/c1-19(13-9-12(20)7-8-15(13)21)14-10-16(14)25-18(23-19)22-17(24)11-5-3-2-4-6-11;1-19(13-9-12(21)7-8-15(13)20)14-10-16(14)25-18(23-19)22-17(24)11-5-3-2-4-6-11;3*1-12(7-4-6(14)2-3-9(7)13)8-5-10(8)17-11(15)16-12;1-11(8-5-10(8)15-14-11)7-4-6(12)2-3-9(7)13;1-11(14,8-5-10(8)15)7-4-6(12)2-3-9(7)13;1-4-2-5(3-6)8-7-4;1-3-4-2-5(4)7-6-3;1-2-3-4/h2-9,14,16H,10H2,1H3,(H,22,23,24);2-9,14,16H,10,21H2,1H3,(H,22,23,24);3*2-4,8,10H,5,14H2,1H3,(H2,15,16);2-4,8,10,14H,5H2,1H3;2-4,8,10,15H,5,14H2,1H3;5H,2-3H2,1H3;4-5H,2H2,1H3;2,4H,1H3/b;;;;;;;;;3-2+/t2*14-,16?,19+;8-,10?,12+;2*8-,10+,12+;2*8-,10?,11+;;;/m1111011.../s1
InChIKeyVOCDEVVDUOZGJW-VFVKAGGJSA-N
XLogP18.41
TPSA491.57 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds11
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002284.42
LogP ≤ 518.41
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 172920190) is (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is C/C=N/O.CC1=NOC(CCl)C1.CC1=NOC2CC12.C[C@@]1(c2cc(Br)ccc2F)N=C(NC(=O)c2ccccc2)OC2C[C@H]21.C[C@@]1(c2cc(Br)ccc2F)NOC2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(N)OC2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(N)O[C@H]2C[C@H]21.C[C@@]1(c2cc(N)ccc2F)N=C(NC(=O)c2ccccc2)OC2C[C@H]21.C[C@](N)(c1cc(Br)ccc1F)[C@@H]1CC1O.C[C@]1(c2cc(N)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.
What is the InChIKey of (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is VOCDEVVDUOZGJW-VFVKAGGJSA-N. The full InChI is InChI=1S/C19H16BrFN2O2.C19H18FN3O2.3C12H14FN3O.C11H11BrFNO.C11H13BrFNO.C5H8ClNO.C5H7NO.C2H5NO/c1-19(13-9-12(20)7-8-15(13)21)14-10-16(14)25-18(23-19)22-17(24)11-5-3-2-4-6-11;1-19(13-9-12(21)7-8-15(13)20)14-10-16(14)25-18(23-19)22-17(24)11-5-3-2-4-6-11;3*1-12(7-4-6(14)2-3-9(7)13)8-5-10(8)17-11(15)16-12;1-11(8-5-10(8)15-14-11)7-4-6(12)2-3-9(7)13;1-11(14,8-5-10(8)15)7-4-6(12)2-3-9(7)13;1-4-2-5(3-6)8-7-4;1-3-4-2-5(4)7-6-3;1-2-3-4/h2-9,14,16H,10H2,1H3,(H,22,23,24);2-9,14,16H,10,21H2,1H3,(H,22,23,24);3*2-4,8,10H,5,14H2,1H3,(H2,15,16);2-4,8,10,14H,5H2,1H3;2-4,8,10,15H,5,14H2,1H3;5H,2-3H2,1H3;4-5H,2H2,1H3;2,4H,1H3/b;;;;;;;;;3-2+/t2*14-,16?,19+;8-,10?,12+;2*8-,10+,12+;2*8-,10?,11+;;;/m1111011.../s1.
What are the key properties of (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
(2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 2284.42 g/mol, XLogP of 18.41, 11 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol;(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(1R,5S,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine;N-[(5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;N-[(5R,6S)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide;(4R,5S)-4-(5-bromo-2-fluorophenyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hexane;5-(chloromethyl)-3-methyl-4,5-dihydro-1,2-oxazole;(NE)-N-ethylidenehydroxylamine;4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 172920190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).