N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C27H33F3N6O5 — CID 177253658

IUPACN-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2cnoc2C(C)C)C2C[C@@H]3C[C@H]3C2)c1)N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C27H33F3N6O5/c1-13(2)23-18(10-32-41-23)24(37)35-22(17-7-15-6-16(15)8-17)25(38)34-21-9-14(4-5-31-21)19(12-40-3)36-11-20(27(28,29)30)33-26(36)39/h4-5,9-10,13,15-17,19-20,22H,6-8,11-12H2,1-3H3,(H,33,39)(H,35,37)(H,31,34,38)/t15-,16-,19+,20-,22-/m0/s1
InChIKeyNQNRQZPUSKJTRZ-AIPFFWNZSA-N
MW578.59 g/mol
LogP3.62
Rot. Bonds10

About N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 177253658) has the molecular formula C27H33F3N6O5 and a molecular weight of 578.59 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID177253658
Molecular FormulaC27H33F3N6O5
Molecular Weight578.59 g/mol
Exact Mass578.25
IUPAC NameN-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2cnoc2C(C)C)C2C[C@@H]3C[C@H]3C2)c1)N1C[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C27H33F3N6O5/c1-13(2)23-18(10-32-41-23)24(37)35-22(17-7-15-6-16(15)8-17)25(38)34-21-9-14(4-5-31-21)19(12-40-3)36-11-20(27(28,29)30)33-26(36)39/h4-5,9-10,13,15-17,19-20,22H,6-8,11-12H2,1-3H3,(H,33,39)(H,35,37)(H,31,34,38)/t15-,16-,19+,20-,22-/m0/s1
InChIKeyNQNRQZPUSKJTRZ-AIPFFWNZSA-N
XLogP3.62
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.59
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide
CID 171790493
2,2-difluoro-N-[2-[[4-[2-methoxy-1-[(4R)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 171790875
(2S)-2-amino-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropanamide
CID 171791017
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 171790395
2-ethyl-N-[(1S)-1-(3-fluorophenyl)-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 178028554
tert-butyl N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]carbamate
CID 178028471
4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 171790666
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 171790435
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 171790788
(4S)-5-cyclopropyl-N-[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)-3-azabicyclo[4.1.0]hept-1-ene-4-carboxamide
CID 171791063
N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 172815621
(2R)-2-[[hydroxy-(4-methyl-1,3-oxazol-5-yl)methyl]amino]-N-[4-[1-[(4S)-2-hydroxy-4-(trifluoromethyl)imidazolidin-1-yl]-2-methoxyethyl]-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 171790597

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 177253658) is N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is COC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2cnoc2C(C)C)C2C[C@@H]3C[C@H]3C2)c1)N1C[C@@H](C(F)(F)F)NC1=O.
What is the InChIKey of N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is NQNRQZPUSKJTRZ-AIPFFWNZSA-N. The full InChI is InChI=1S/C27H33F3N6O5/c1-13(2)23-18(10-32-41-23)24(37)35-22(17-7-15-6-16(15)8-17)25(38)34-21-9-14(4-5-31-21)19(12-40-3)36-11-20(27(28,29)30)33-26(36)39/h4-5,9-10,13,15-17,19-20,22H,6-8,11-12H2,1-3H3,(H,33,39)(H,35,37)(H,31,34,38)/t15-,16-,19+,20-,22-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 578.59 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 177253658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).