N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

C22H22N4O3 — CID 60560386

IUPACN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H22N4O3/c23-21(27)19-10-5-11-26(19)14-15-6-4-9-17(12-15)24-22(28)20-13-18(25-29-20)16-7-2-1-3-8-16/h1-4,6-9,12-13,19H,5,10-11,14H2,(H2,23,27)(H,24,28)
InChIKeyHYEUYMMYZNEVKY-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.04
Rot. Bonds6

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

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 60560386) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID60560386
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H22N4O3/c23-21(27)19-10-5-11-26(19)14-15-6-4-9-17(12-15)24-22(28)20-13-18(25-29-20)16-7-2-1-3-8-16/h1-4,6-9,12-13,19H,5,10-11,14H2,(H2,23,27)(H,24,28)
InChIKeyHYEUYMMYZNEVKY-UHFFFAOYSA-N
XLogP3.04
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 60560463
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
CID 60560334
1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560462
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55983837
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 60560386) is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is HYEUYMMYZNEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c23-21(27)19-10-5-11-26(19)14-15-6-4-9-17(12-15)24-22(28)20-13-18(25-29-20)16-7-2-1-3-8-16/h1-4,6-9,12-13,19H,5,10-11,14H2,(H2,23,27)(H,24,28).
What are the key properties of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60560386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).