5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile

C16H14N4O2S — CID 90234558

IUPAC5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile
SMILESCc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(C#N)s2)c1
InChIInChI=1S/C16H14N4O2S/c1-9-15(10(2)22-19-9)11-5-14(18)16(21)20(7-11)8-13-4-3-12(6-17)23-13/h3-5,7H,8,18H2,1-2H3
InChIKeyZSSWKBRNCBCIFS-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.68
Rot. Bonds3

About 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile

5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile (PubChem CID 90234558) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile
PubChem CID90234558
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile
SMILESCc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(C#N)s2)c1
InChIInChI=1S/C16H14N4O2S/c1-9-15(10(2)22-19-9)11-5-14(18)16(21)20(7-11)8-13-4-3-12(6-17)23-13/h3-5,7H,8,18H2,1-2H3
InChIKeyZSSWKBRNCBCIFS-UHFFFAOYSA-N
XLogP2.68
TPSA97.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile (CID 90234558) is 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile is Cc1noc(C)c1-c1cc(N)c(=O)n(Cc2ccc(C#N)s2)c1.
What is the InChIKey of 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile?
The InChIKey is ZSSWKBRNCBCIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-15(10(2)22-19-9)11-5-14(18)16(21)20(7-11)8-13-4-3-12(6-17)23-13/h3-5,7H,8,18H2,1-2H3.
What are the key properties of 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile?
5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile has a molecular weight of 326.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 90234558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).