(2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C115H121N21O12 — CID 157382667

IUPAC(2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(C)NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CC[C@H](CC(C)C)NC(=O)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.COC(=O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NCc1ccccn1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1
InChIInChI=1S/C26H32N4O2.C25H23N5O2.C22H22N4O4.C22H24N4O2.C20H20N4O2/c1-4-21(16-19(2)3)28-26(31)25-18-29(23-8-5-6-9-24(23)32-25)17-20-10-12-22(13-11-20)30-15-7-14-27-30;31-25(27-16-20-6-3-4-13-26-20)24-18-29(22-7-1-2-8-23(22)32-24)17-19-9-11-21(12-10-19)30-15-5-14-28-30;1-29-21(27)13-23-22(28)20-15-25(18-5-2-3-6-19(18)30-20)14-16-7-9-17(10-8-16)26-12-4-11-24-26;1-16(2)24-22(27)21-15-25(19-6-3-4-7-20(19)28-21)14-17-8-10-18(11-9-17)26-13-5-12-23-26;1-21-20(25)19-14-23(17-5-2-3-6-18(17)26-19)13-15-7-9-16(10-8-15)24-12-4-11-22-24/h5-15,19,21,25H,4,16-18H2,1-3H3,(H,28,31);1-15,24H,16-18H2,(H,27,31);2-12,20H,13-15H2,1H3,(H,23,28);3-13,16,21H,14-15H2,1-2H3,(H,24,27);2-12,19H,13-14H2,1H3,(H,21,25)/t21-,25-;;;;/m1..../s1
InChIKeyBLBJQLDBLBTQNP-YCWPYSFPSA-N
MW1989.37 g/mol
LogP15.41
Rot. Bonds29

About (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 157382667) has the molecular formula C115H121N21O12 and a molecular weight of 1989.37 g/mol. Its IUPAC name is (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID157382667
Molecular FormulaC115H121N21O12
Molecular Weight1989.37 g/mol
Exact Mass1987.95
IUPAC Name(2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(C)NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CC[C@H](CC(C)C)NC(=O)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.COC(=O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NCc1ccccn1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1
InChIInChI=1S/C26H32N4O2.C25H23N5O2.C22H22N4O4.C22H24N4O2.C20H20N4O2/c1-4-21(16-19(2)3)28-26(31)25-18-29(23-8-5-6-9-24(23)32-25)17-20-10-12-22(13-11-20)30-15-7-14-27-30;31-25(27-16-20-6-3-4-13-26-20)24-18-29(22-7-1-2-8-23(22)32-24)17-19-9-11-21(12-10-19)30-15-5-14-28-30;1-29-21(27)13-23-22(28)20-15-25(18-5-2-3-6-19(18)30-20)14-16-7-9-17(10-8-16)26-12-4-11-24-26;1-16(2)24-22(27)21-15-25(19-6-3-4-7-20(19)28-21)14-17-8-10-18(11-9-17)26-13-5-12-23-26;1-21-20(25)19-14-23(17-5-2-3-6-18(17)26-19)13-15-7-9-16(10-8-15)24-12-4-11-22-24/h5-15,19,21,25H,4,16-18H2,1-3H3,(H,28,31);1-15,24H,16-18H2,(H,27,31);2-12,20H,13-15H2,1H3,(H,23,28);3-13,16,21H,14-15H2,1-2H3,(H,24,27);2-12,19H,13-14H2,1H3,(H,21,25)/t21-,25-;;;;/m1..../s1
InChIKeyBLBJQLDBLBTQNP-YCWPYSFPSA-N
XLogP15.41
TPSA336.14 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001989.37
LogP ≤ 515.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 157376945
N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 161582020
N-[5-[1-[4-[[2-(propan-2-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]phenyl]pyrazol-4-yl]oxolan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123414352
N-(2-hydroxyethyl)-4-[[4-[4-[3-[[4-[[4-[5-[3-hydroxy-2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]propyl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]-3-methyloxetan-2-yl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123439636
N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-7-[2-[[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]methyl]-4-pyridinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123483183
N-(3-morpholin-4-ylpropyl)-4-[[4-[4-[[4-[2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]ethoxy]phenoxy]methyl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 123531208
N-(2-hydroxy-2-methylpropyl)-4-[[4-[4-[4-[[4-[[4-[5-[5-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]oxan-3-yl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]oxan-2-yl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 126494618
Methyl 2-[[4-[[4-[4-[2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]propyl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 126494659
N-(2-methylpropyl)-4-[[4-[4-[3-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]cyclohexyl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 126494663
4-[[4-[4-[2-[[4-[(4-Pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]cyclobutyl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 126494712
N-(2-hydroxyethyl)-4-[[4-[4-[3-[[4-[[4-[5-[(2S)-3-hydroxy-2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]propyl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]-3-methyloxetan-2-yl]pyrazol-1-yl]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 144852500
N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-6-[6-[[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]methyl]-3-pyridinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 144852504

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 157382667) is (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(C)NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CC[C@H](CC(C)C)NC(=O)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.COC(=O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NCc1ccccn1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.
What is the InChIKey of (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is BLBJQLDBLBTQNP-YCWPYSFPSA-N. The full InChI is InChI=1S/C26H32N4O2.C25H23N5O2.C22H22N4O4.C22H24N4O2.C20H20N4O2/c1-4-21(16-19(2)3)28-26(31)25-18-29(23-8-5-6-9-24(23)32-25)17-20-10-12-22(13-11-20)30-15-7-14-27-30;31-25(27-16-20-6-3-4-13-26-20)24-18-29(22-7-1-2-8-23(22)32-24)17-19-9-11-21(12-10-19)30-15-5-14-28-30;1-29-21(27)13-23-22(28)20-15-25(18-5-2-3-6-19(18)30-20)14-16-7-9-17(10-8-16)26-12-4-11-24-26;1-16(2)24-22(27)21-15-25(19-6-3-4-7-20(19)28-21)14-17-8-10-18(11-9-17)26-13-5-12-23-26;1-21-20(25)19-14-23(17-5-2-3-6-18(17)26-19)13-15-7-9-16(10-8-15)24-12-4-11-22-24/h5-15,19,21,25H,4,16-18H2,1-3H3,(H,28,31);1-15,24H,16-18H2,(H,27,31);2-12,20H,13-15H2,1H3,(H,23,28);3-13,16,21H,14-15H2,1-2H3,(H,24,27);2-12,19H,13-14H2,1H3,(H,21,25)/t21-,25-;;;;/m1..../s1.
What are the key properties of (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 1989.37 g/mol, XLogP of 15.41, 29 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-5-methylhexan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;methyl 2-[[4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]acetate;N-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-propan-2-yl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 157382667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).