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

C21H21N3O2 — CID 95145261

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H21N3O2/c25-21(19-13-20(26-23-19)17-9-5-2-6-10-17)22-18-11-12-24(15-18)14-16-7-3-1-4-8-16/h1-10,13,18H,11-12,14-15H2,(H,22,25)/t18-/m0/s1
InChIKeyDHQQBDVVVQGSMT-SFHVURJKSA-N
MW347.42 g/mol
LogP3.35
Rot. Bonds5

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

N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 95145261) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID95145261
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H21N3O2/c25-21(19-13-20(26-23-19)17-9-5-2-6-10-17)22-18-11-12-24(15-18)14-16-7-3-1-4-8-16/h1-10,13,18H,11-12,14-15H2,(H,22,25)/t18-/m0/s1
InChIKeyDHQQBDVVVQGSMT-SFHVURJKSA-N
XLogP3.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 162651161
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 95145261) is N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is DHQQBDVVVQGSMT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(19-13-20(26-23-19)17-9-5-2-6-10-17)22-18-11-12-24(15-18)14-16-7-3-1-4-8-16/h1-10,13,18H,11-12,14-15H2,(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95145261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).