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

C15H13N3O2S — CID 71800451

IUPACN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)c2cccs2)n1
InChIInChI=1S/C15H13N3O2S/c1-10-16-14(20-18-10)9-11-5-2-3-6-12(11)17-15(19)13-7-4-8-21-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyWJPMUHSMMHLWFT-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.28
Rot. Bonds4

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

N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 71800451) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID71800451
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)c2cccs2)n1
InChIInChI=1S/C15H13N3O2S/c1-10-16-14(20-18-10)9-11-5-2-3-6-12(11)17-15(19)13-7-4-8-21-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyWJPMUHSMMHLWFT-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide (CID 71800451) is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide is Cc1noc(Cc2ccccc2NC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WJPMUHSMMHLWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-16-14(20-18-10)9-11-5-2-3-6-12(11)17-15(19)13-7-4-8-21-13/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71800451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).