[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate

C16H13N3O4S — CID 7835099

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O4S/c1-10-7-8-24-13(10)15(21)22-9-12(20)17-16-19-18-14(23-16)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,19,20)
InChIKeyLJUYPFJROUCBMN-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.90
Rot. Bonds5

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate (PubChem CID 7835099) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate
PubChem CID7835099
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O4S/c1-10-7-8-24-13(10)15(21)22-9-12(20)17-16-19-18-14(23-16)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,19,20)
InChIKeyLJUYPFJROUCBMN-UHFFFAOYSA-N
XLogP2.90
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2104451
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CID 2104509
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4061474
3-fluoro-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5080802
N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)-3-tosylpropanamide
CID 7254302
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485399
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767186
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylbenzoate
CID 8112872
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
CID 8631325
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate
CID 2103318
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate
CID 7874687
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 155235644

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate (CID 7835099) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is LJUYPFJROUCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-10-7-8-24-13(10)15(21)22-9-12(20)17-16-19-18-14(23-16)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,19,20).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 343.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 7835099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).