2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

C14H12N4O — CID 6893692

IUPAC2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N/N=C/C=C/c2ccccc2)o1
InChIInChI=1S/C14H12N4O/c1-11-17-13(10-15)14(19-11)18-16-9-5-8-12-6-3-2-4-7-12/h2-9,18H,1H3/b8-5+,16-9+
InChIKeyYCFMNQJVIHYKRR-ZCPHBQKFSA-N
MW252.28 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6893692) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID6893692
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(N/N=C/C=C/c2ccccc2)o1
InChIInChI=1S/C14H12N4O/c1-11-17-13(10-15)14(19-11)18-16-9-5-8-12-6-3-2-4-7-12/h2-9,18H,1H3/b8-5+,16-9+
InChIKeyYCFMNQJVIHYKRR-ZCPHBQKFSA-N
XLogP2.97
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 6893692) is 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(N/N=C/C=C/c2ccccc2)o1.
What is the InChIKey of 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is YCFMNQJVIHYKRR-ZCPHBQKFSA-N. The full InChI is InChI=1S/C14H12N4O/c1-11-17-13(10-15)14(19-11)18-16-9-5-8-12-6-3-2-4-7-12/h2-9,18H,1H3/b8-5+,16-9+.
What are the key properties of 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6893692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).