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

C20H20N4O2 — CID 94024983

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C20H20N4O2/c25-20(18-11-19(26-23-18)16-7-4-9-21-12-16)22-17-8-10-24(14-17)13-15-5-2-1-3-6-15/h1-7,9,11-12,17H,8,10,13-14H2,(H,22,25)/t17-/m0/s1
InChIKeyPTVJFEQRMIBQKX-KRWDZBQOSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds5

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

N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 94024983) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID94024983
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C20H20N4O2/c25-20(18-11-19(26-23-18)16-7-4-9-21-12-16)22-17-8-10-24(14-17)13-15-5-2-1-3-6-15/h1-7,9,11-12,17H,8,10,13-14H2,(H,22,25)/t17-/m0/s1
InChIKeyPTVJFEQRMIBQKX-KRWDZBQOSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119458588
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
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
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295575
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 94024983) is N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PTVJFEQRMIBQKX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-11-19(26-23-18)16-7-4-9-21-12-16)22-17-8-10-24(14-17)13-15-5-2-1-3-6-15/h1-7,9,11-12,17H,8,10,13-14H2,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94024983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).