5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide

C14H14ClN3O2 — CID 168909393

IUPAC5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCNC1)c1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H14ClN3O2/c15-10-3-1-2-9(6-10)12-8-17-14(20-12)13(19)18-11-4-5-16-7-11/h1-3,6,8,11,16H,4-5,7H2,(H,18,19)
InChIKeyDSKJUHYJORSXJL-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.09
Rot. Bonds3

About 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide

5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide (PubChem CID 168909393) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide
PubChem CID168909393
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCNC1)c1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H14ClN3O2/c15-10-3-1-2-9(6-10)12-8-17-14(20-12)13(19)18-11-4-5-16-7-11/h1-3,6,8,11,16H,4-5,7H2,(H,18,19)
InChIKeyDSKJUHYJORSXJL-UHFFFAOYSA-N
XLogP2.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
5-(3-aminophenyl)-N-[(3S,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-oxazole-2-carboxamide
CID 10267681
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
CID 22350338
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride
CID 119922875
5-(3-cyanophenyl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide
CID 155212531
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide (CID 168909393) is 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide is O=C(NC1CCNC1)c1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide?
The InChIKey is DSKJUHYJORSXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-3-1-2-9(6-10)12-8-17-14(20-12)13(19)18-11-4-5-16-7-11/h1-3,6,8,11,16H,4-5,7H2,(H,18,19).
What are the key properties of 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide?
5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 168909393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).