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

C14H14N4O3S — CID 2201162

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C14H14N4O3S/c1-2-5-12-16-17-13(22-12)15-11(19)8-18-9-6-3-4-7-10(9)21-14(18)20/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,19)
InChIKeyJTPOSVRSMKXGFG-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.04
Rot. Bonds5

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

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2201162) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2201162
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C14H14N4O3S/c1-2-5-12-16-17-13(22-12)15-11(19)8-18-9-6-3-4-7-10(9)21-14(18)20/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,19)
InChIKeyJTPOSVRSMKXGFG-UHFFFAOYSA-N
XLogP2.04
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 652135
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5308275
N-[5-(2-Methylpiperidin-1-YL)-1,3,4-thiadiazol-2-YL]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 5308448
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
N-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 6620326
N-[5-(Azepan-1-YL)-1,3,4-thiadiazol-2-YL]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 11957196
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 3253725
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 646185
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethoxy-phenyl)-amide] 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 648153
1-(5-Ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
N1-(2-methoxyphenyl)-N4-(5-propyl-1,3,4-thiadiazol-2-yl)succinamide
CID 939272

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2201162) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JTPOSVRSMKXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-2-5-12-16-17-13(22-12)15-11(19)8-18-9-6-3-4-7-10(9)21-14(18)20/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,19).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 318.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2201162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).