N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H16N4O3S — CID 31036968

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C15H16N4O3S/c1-2-3-8-13-17-18-14(23-13)16-12(20)9-19-10-6-4-5-7-11(10)22-15(19)21/h4-7H,2-3,8-9H2,1H3,(H,16,18,20)
InChIKeyGUBYWDULBKUKOX-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.43
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 31036968) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID31036968
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C15H16N4O3S/c1-2-3-8-13-17-18-14(23-13)16-12(20)9-19-10-6-4-5-7-11(10)22-15(19)21/h4-7H,2-3,8-9H2,1H3,(H,16,18,20)
InChIKeyGUBYWDULBKUKOX-UHFFFAOYSA-N
XLogP2.43
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081150
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78796793
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 78827961
methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18195955
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4608315
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 78778902

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 31036968) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is GUBYWDULBKUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-2-3-8-13-17-18-14(23-13)16-12(20)9-19-10-6-4-5-7-11(10)22-15(19)21/h4-7H,2-3,8-9H2,1H3,(H,16,18,20).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 31036968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).