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

C14H12N4O2S — CID 700922

IUPAC5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C14H12N4O2S/c1-8-11(13(19)15-14-17-16-9(2)21-14)12(18-20-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,17,19)
InChIKeyIQWYHEXZXAJCGQ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.06
Rot. Bonds3

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

5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 700922) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID700922
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C14H12N4O2S/c1-8-11(13(19)15-14-17-16-9(2)21-14)12(18-20-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,17,19)
InChIKeyIQWYHEXZXAJCGQ-UHFFFAOYSA-N
XLogP3.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 700922) is 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is IQWYHEXZXAJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-11(13(19)15-14-17-16-9(2)21-14)12(18-20-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,17,19).
What are the key properties of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 700922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).