N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C13H12N4O3S — CID 3163797

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C13H12N4O3S/c1-8-15-16-12(21-8)14-11(18)6-7-17-9-4-2-3-5-10(9)20-13(17)19/h2-5H,6-7H2,1H3,(H,14,16,18)
InChIKeyURKAIMCAZNDYLE-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.78
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3163797) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3163797
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C13H12N4O3S/c1-8-15-16-12(21-8)14-11(18)6-7-17-9-4-2-3-5-10(9)20-13(17)19/h2-5H,6-7H2,1H3,(H,14,16,18)
InChIKeyURKAIMCAZNDYLE-UHFFFAOYSA-N
XLogP1.78
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3163797) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is URKAIMCAZNDYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-8-15-16-12(21-8)14-11(18)6-7-17-9-4-2-3-5-10(9)20-13(17)19/h2-5H,6-7H2,1H3,(H,14,16,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 304.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3163797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).