3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

C14H11ClN4O2S — CID 690605

IUPAC3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
InChIInChI=1S/C14H11ClN4O2S/c1-7-11(13(20)16-14-18-17-8(2)22-14)12(19-21-7)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H,16,18,20)
InChIKeyZQIRJXYNVOBHNH-UHFFFAOYSA-N
MW334.79 g/mol
LogP3.72
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 690605) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID690605
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
InChIInChI=1S/C14H11ClN4O2S/c1-7-11(13(20)16-14-18-17-8(2)22-14)12(19-21-7)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H,16,18,20)
InChIKeyZQIRJXYNVOBHNH-UHFFFAOYSA-N
XLogP3.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 690605) is 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is ZQIRJXYNVOBHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-7-11(13(20)16-14-18-17-8(2)22-14)12(19-21-7)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H,16,18,20).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 334.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 690605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).