N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide

C18H14N4O2 — CID 15892647

IUPACN-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)N(N)c2oc(-c3ccccc3)nc2C#N)cc1
InChIInChI=1S/C18H14N4O2/c1-12-7-9-14(10-8-12)17(23)22(20)18-15(11-19)21-16(24-18)13-5-3-2-4-6-13/h2-10H,20H2,1H3
InChIKeyRHQBRWNIHDQWPT-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.04
Rot. Bonds3

About N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide

N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide (PubChem CID 15892647) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide.

Molecular Properties

Compound NameN-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide
PubChem CID15892647
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)N(N)c2oc(-c3ccccc3)nc2C#N)cc1
InChIInChI=1S/C18H14N4O2/c1-12-7-9-14(10-8-12)17(23)22(20)18-15(11-19)21-16(24-18)13-5-3-2-4-6-13/h2-10H,20H2,1H3
InChIKeyRHQBRWNIHDQWPT-UHFFFAOYSA-N
XLogP3.04
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)-methylamino]acetic acid
CID 155943118
N-[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 45129246
4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 154811070
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 154811076
N-benzoyl-4-methylbenzohydrazide
CID 174274321
[4-cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]-trimethylazanium
CID 66486239
5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 118984545
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
CID 143438347
2-(4-cyanophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 58610248
2-(4-fluorophenyl)-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 42587142

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide?
The IUPAC name of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide (CID 15892647) is N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide.
What is the SMILES notation for N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide?
The canonical SMILES for N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide is Cc1ccc(C(=O)N(N)c2oc(-c3ccccc3)nc2C#N)cc1.
What is the InChIKey of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide?
The InChIKey is RHQBRWNIHDQWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12-7-9-14(10-8-12)17(23)22(20)18-15(11-19)21-16(24-18)13-5-3-2-4-6-13/h2-10H,20H2,1H3.
What are the key properties of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide?
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide has a molecular weight of 318.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide is sourced from PubChem (CID 15892647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).