5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide

C19H17N5O2 — CID 168909070

IUPAC5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide
SMILESN#Cc1ccc(C2CC2)c(-c2cnc(C(=O)NC3CCN(C#N)C3)o2)c1
InChIInChI=1S/C19H17N5O2/c20-8-12-1-4-15(13-2-3-13)16(7-12)17-9-22-19(26-17)18(25)23-14-5-6-24(10-14)11-21/h1,4,7,9,13-14H,2-3,5-6,10H2,(H,23,25)
InChIKeyXYPOBEIWVPOQMU-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.38
Rot. Bonds4

About 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide

5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide (PubChem CID 168909070) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide
PubChem CID168909070
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide
SMILESN#Cc1ccc(C2CC2)c(-c2cnc(C(=O)NC3CCN(C#N)C3)o2)c1
InChIInChI=1S/C19H17N5O2/c20-8-12-1-4-15(13-2-3-13)16(7-12)17-9-22-19(26-17)18(25)23-14-5-6-24(10-14)11-21/h1,4,7,9,13-14H,2-3,5-6,10H2,(H,23,25)
InChIKeyXYPOBEIWVPOQMU-UHFFFAOYSA-N
XLogP2.38
TPSA105.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanopyrrolidin-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide;methoxymethane
CID 156881467
5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
CID 168909150
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 129247135
N-(1-cyanopyrrolidin-3-yl)-5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 168909039
N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
CID 155212298
5-(5-cyano-2-cyclopropyloxyphenyl)-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3-oxazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175908991
5-(5-cyano-2-cyclopropylphenyl)-N-[(3R,5S)-1-cyano-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909222
tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 163263750
N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide
CID 134363537
4-cyano-N-[1-[(R)-(4-cyanophenyl)-(6-cyclobutyloxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-fluorobenzamide
CID 69372173

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide (CID 168909070) is 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide is N#Cc1ccc(C2CC2)c(-c2cnc(C(=O)NC3CCN(C#N)C3)o2)c1.
What is the InChIKey of 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is XYPOBEIWVPOQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-8-12-1-4-15(13-2-3-13)16(7-12)17-9-22-19(26-17)18(25)23-14-5-6-24(10-14)11-21/h1,4,7,9,13-14H,2-3,5-6,10H2,(H,23,25).
What are the key properties of 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide?
5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 168909070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).