5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C16H13N3OS — CID 891939

IUPAC5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(CNc2oc(-c3cccs3)nc2C#N)cc1
InChIInChI=1S/C16H13N3OS/c1-11-4-6-12(7-5-11)10-18-15-13(9-17)19-16(20-15)14-3-2-8-21-14/h2-8,18H,10H2,1H3
InChIKeyOTYCRDSNRVOPTQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.20
Rot. Bonds4

About 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 891939) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID891939
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(CNc2oc(-c3cccs3)nc2C#N)cc1
InChIInChI=1S/C16H13N3OS/c1-11-4-6-12(7-5-11)10-18-15-13(9-17)19-16(20-15)14-3-2-8-21-14/h2-8,18H,10H2,1H3
InChIKeyOTYCRDSNRVOPTQ-UHFFFAOYSA-N
XLogP4.20
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Allylamino)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 1986205
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5308665
2-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}-N-[(thiophen-2-yl)methyl]acetamide
CID 6622165
2-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)-N-(thien-2-ylmethyl)acetamide
CID 9551329
5-[(2-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 660993
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661062
5-[(2-Phenylethyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661185
5-(Benzylamino)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661217
5-(Dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 661233
5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661245
5-(4-Phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891859
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 892396

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 891939) is 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is Cc1ccc(CNc2oc(-c3cccs3)nc2C#N)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is OTYCRDSNRVOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-4-6-12(7-5-11)10-18-15-13(9-17)19-16(20-15)14-3-2-8-21-14/h2-8,18H,10H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 295.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).