N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

C17H16N4O4S — CID 34773509

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1C
InChIInChI=1S/C17H16N4O4S/c1-10-5-6-12(8-11(10)2)18-16(23)19-14(22)9-21-17(24)25-15(20-21)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H2,18,19,22,23)
InChIKeyBFWHALCJTADACA-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.53
Rot. Bonds4

About N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 34773509) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID34773509
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1C
InChIInChI=1S/C17H16N4O4S/c1-10-5-6-12(8-11(10)2)18-16(23)19-14(22)9-21-17(24)25-15(20-21)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H2,18,19,22,23)
InChIKeyBFWHALCJTADACA-UHFFFAOYSA-N
XLogP2.53
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27144414
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778648
3-methyl-N-[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]butanamide
CID 27144372
[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
CID 34006331
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
methyl 4,5-dimethyl-2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 27144348
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
2-(2-methylphenyl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 16672334

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 34773509) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is Cc1ccc(NC(=O)NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is BFWHALCJTADACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-10-5-6-12(8-11(10)2)18-16(23)19-14(22)9-21-17(24)25-15(20-21)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H2,18,19,22,23).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 372.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 34773509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).