N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide

C20H15N3O2S — CID 2202433

IUPACN-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1
InChIInChI=1S/C20H15N3O2S/c1-13-5-2-3-6-16(13)20-22-18(23-25-20)14-8-10-15(11-9-14)21-19(24)17-7-4-12-26-17/h2-12H,1H3,(H,21,24)
InChIKeyYHKJCMKRSHGSHU-UHFFFAOYSA-N
MW361.43 g/mol
LogP5.03
Rot. Bonds4

About N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (PubChem CID 2202433) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
PubChem CID2202433
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1
InChIInChI=1S/C20H15N3O2S/c1-13-5-2-3-6-16(13)20-22-18(23-25-20)14-8-10-15(11-9-14)21-19(24)17-7-4-12-26-17/h2-12H,1H3,(H,21,24)
InChIKeyYHKJCMKRSHGSHU-UHFFFAOYSA-N
XLogP5.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (CID 2202433) is N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1.
What is the InChIKey of N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is YHKJCMKRSHGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-5-2-3-6-16(13)20-22-18(23-25-20)14-8-10-15(11-9-14)21-19(24)17-7-4-12-26-17/h2-12H,1H3,(H,21,24).
What are the key properties of N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2202433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).