2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile

C15H10N4OS — CID 44615199

IUPAC2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccs1
InChIInChI=1S/C15H10N4OS/c16-9-13-15(19-17-10-12-7-4-8-21-12)20-14(18-13)11-5-2-1-3-6-11/h1-8,10,19H/b17-10+
InChIKeySZWVRQOTQMCIHH-LICLKQGHSA-N
MW294.34 g/mol
LogP3.72
Rot. Bonds4

About 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile

2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 44615199) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID44615199
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccs1
InChIInChI=1S/C15H10N4OS/c16-9-13-15(19-17-10-12-7-4-8-21-12)20-14(18-13)11-5-2-1-3-6-11/h1-8,10,19H/b17-10+
InChIKeySZWVRQOTQMCIHH-LICLKQGHSA-N
XLogP3.72
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34317581
5-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 4067821
2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
CID 143438347
5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 139582427
2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 5152099
5-[2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 71952798
5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 162395028
1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea
CID 34924456
5-(butan-2-ylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750726
5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 40726725
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 51064692

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 44615199) is 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1N/N=C/c1cccs1.
What is the InChIKey of 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is SZWVRQOTQMCIHH-LICLKQGHSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-9-13-15(19-17-10-12-7-4-8-21-12)20-14(18-13)11-5-2-1-3-6-11/h1-8,10,19H/b17-10+.
What are the key properties of 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44615199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).