3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide

C15H14N4O3 — CID 110370348

IUPAC3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
SMILESCc1cc(NC(=O)CCNC(=O)c2cccc(C#N)c2)no1
InChIInChI=1S/C15H14N4O3/c1-10-7-13(19-22-10)18-14(20)5-6-17-15(21)12-4-2-3-11(8-12)9-16/h2-4,7-8H,5-6H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyYIQSEARGBTTZCO-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.61
Rot. Bonds5

About 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide

3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide (PubChem CID 110370348) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
PubChem CID110370348
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
SMILESCc1cc(NC(=O)CCNC(=O)c2cccc(C#N)c2)no1
InChIInChI=1S/C15H14N4O3/c1-10-7-13(19-22-10)18-14(20)5-6-17-15(21)12-4-2-3-11(8-12)9-16/h2-4,7-8H,5-6H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyYIQSEARGBTTZCO-UHFFFAOYSA-N
XLogP1.61
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
2,6-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370352
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717665
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide (CID 110370348) is 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide is Cc1cc(NC(=O)CCNC(=O)c2cccc(C#N)c2)no1.
What is the InChIKey of 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is YIQSEARGBTTZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10-7-13(19-22-10)18-14(20)5-6-17-15(21)12-4-2-3-11(8-12)9-16/h2-4,7-8H,5-6H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide?
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 298.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 110370348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).