N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C24H30F2N4O5 — CID 21042901

IUPACN-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)C1CC(F)(F)CN1C(=O)C(O)C(Cc1ccccc1)NC(=O)c1c(C)noc1C
InChIInChI=1S/C24H30F2N4O5/c1-4-10-27-21(32)18-12-24(25,26)13-30(18)23(34)20(31)17(11-16-8-6-5-7-9-16)28-22(33)19-14(2)29-35-15(19)3/h5-9,17-18,20,31H,4,10-13H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyXHMCWWAXHGYJOC-UHFFFAOYSA-N
MW492.52 g/mol
LogP1.76
Rot. Bonds9

About N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 21042901) has the molecular formula C24H30F2N4O5 and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID21042901
Molecular FormulaC24H30F2N4O5
Molecular Weight492.52 g/mol
Exact Mass492.22
IUPAC NameN-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCNC(=O)C1CC(F)(F)CN1C(=O)C(O)C(Cc1ccccc1)NC(=O)c1c(C)noc1C
InChIInChI=1S/C24H30F2N4O5/c1-4-10-27-21(32)18-12-24(25,26)13-30(18)23(34)20(31)17(11-16-8-6-5-7-9-16)28-22(33)19-14(2)29-35-15(19)3/h5-9,17-18,20,31H,4,10-13H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyXHMCWWAXHGYJOC-UHFFFAOYSA-N
XLogP1.76
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[4,4-difluoro-2-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 21042883
(2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[[(2S)-2-methylbutanoyl]amino]-4-phenylbutanoyl]-N-propylpyrrolidine-2-carboxamide
CID 71209551
4,4-difluoro-1-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenylbutanoyl]-N-propylpyrrolidine-2-carboxamide
CID 21042767
(2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 58682387
4,4-difluoro-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 21042757
N-[(2S,3S)-4-[(2S)-4,4-difluoro-2-(prop-2-ynylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 89373342
N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 23396471
N-[(2S,3S)-4-(5,5-dimethyl-1,3-thiazolidin-3-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71219202
N-[(2S,3S)-4-[(2S)-4,4-difluoro-2-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71209563
4,4-difluoro-1-[(2S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(3-methylbut-2-enyl)pyrrolidine-2-carboxamide
CID 149403984
(2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-(pentanoylamino)-4-phenylbutanoyl]-N-[[4-(methylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142195114
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide
CID 58682271

Frequently Asked Questions

What is the IUPAC name of N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 21042901) is N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCCNC(=O)C1CC(F)(F)CN1C(=O)C(O)C(Cc1ccccc1)NC(=O)c1c(C)noc1C.
What is the InChIKey of N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XHMCWWAXHGYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O5/c1-4-10-27-21(32)18-12-24(25,26)13-30(18)23(34)20(31)17(11-16-8-6-5-7-9-16)28-22(33)19-14(2)29-35-15(19)3/h5-9,17-18,20,31H,4,10-13H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,4-difluoro-2-(propylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 21042901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).