N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide

C22H21N3O3 — CID 95714998

IUPACN-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C22H21N3O3/c26-21-13-18(15-25(21)12-11-16-7-3-1-4-8-16)23-22(27)20-14-19(24-28-20)17-9-5-2-6-10-17/h1-10,14,18H,11-13,15H2,(H,23,27)/t18-/m0/s1
InChIKeyVMVZHUCKXLZOBE-SFHVURJKSA-N
MW375.43 g/mol
LogP2.91
Rot. Bonds6

About N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 95714998) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID95714998
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C22H21N3O3/c26-21-13-18(15-25(21)12-11-16-7-3-1-4-8-16)23-22(27)20-14-19(24-28-20)17-9-5-2-6-10-17/h1-10,14,18H,11-13,15H2,(H,23,27)/t18-/m0/s1
InChIKeyVMVZHUCKXLZOBE-SFHVURJKSA-N
XLogP2.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1-benzoxepine-4-carboxamide
CID 95718742
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 95714998) is N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide is O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is VMVZHUCKXLZOBE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21-13-18(15-25(21)12-11-16-7-3-1-4-8-16)23-22(27)20-14-19(24-28-20)17-9-5-2-6-10-17/h1-10,14,18H,11-13,15H2,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95714998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).