N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

C14H12N4O3 — CID 108956954

IUPACN-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)no1
InChIInChI=1S/C14H12N4O3/c1-9-6-12(18-21-9)17-14(20)7-13(19)16-11-4-2-10(8-15)3-5-11/h2-6H,7H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyJYDYTTFIORANFO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.82
Rot. Bonds4

About N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108956954) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108956954
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)no1
InChIInChI=1S/C14H12N4O3/c1-9-6-12(18-21-9)17-14(20)7-13(19)16-11-4-2-10(8-15)3-5-11/h2-6H,7H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyJYDYTTFIORANFO-UHFFFAOYSA-N
XLogP1.82
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108970171
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-[(4-cyanophenyl)methyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 134043287
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35798753
2-[4-(4-cyanophenyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 155564864
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108956954) is N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)no1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is JYDYTTFIORANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-6-12(18-21-9)17-14(20)7-13(19)16-11-4-2-10(8-15)3-5-11/h2-6H,7H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 284.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108956954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).