[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea

C15H12N4O4S — CID 34006331

IUPAC[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)Cn2nc(-c3cccs3)oc2=O)cc1
InChIInChI=1S/C15H12N4O4S/c16-14(21)17-10-5-3-9(4-6-10)11(20)8-19-15(22)23-13(18-19)12-2-1-7-24-12/h1-7H,8H2,(H3,16,17,21)
InChIKeyIFBVAEXDJLSFAY-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.94
Rot. Bonds5

About [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea

[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea (PubChem CID 34006331) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
PubChem CID34006331
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)Cn2nc(-c3cccs3)oc2=O)cc1
InChIInChI=1S/C15H12N4O4S/c16-14(21)17-10-5-3-9(4-6-10)11(20)8-19-15(22)23-13(18-19)12-2-1-7-24-12/h1-7H,8H2,(H3,16,17,21)
InChIKeyIFBVAEXDJLSFAY-UHFFFAOYSA-N
XLogP1.94
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]butanamide
CID 27144372
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 38135695
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 30661160
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 34773509
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
3-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 47027015
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate
CID 32552301

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea?
The IUPAC name of [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea (CID 34006331) is [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea.
What is the SMILES notation for [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea?
The canonical SMILES for [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea is NC(=O)Nc1ccc(C(=O)Cn2nc(-c3cccs3)oc2=O)cc1.
What is the InChIKey of [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea?
The InChIKey is IFBVAEXDJLSFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c16-14(21)17-10-5-3-9(4-6-10)11(20)8-19-15(22)23-13(18-19)12-2-1-7-24-12/h1-7H,8H2,(H3,16,17,21).
What are the key properties of [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea?
[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea has a molecular weight of 344.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea is sourced from PubChem (CID 34006331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).