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

C17H17N3O2S — CID 2991389

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-12(2)20(17(21)14-9-6-10-23-14)11-15-18-16(19-22-15)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKeyWWOOJOXCWUGMKO-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.85
Rot. Bonds5

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 2991389) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID2991389
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-12(2)20(17(21)14-9-6-10-23-14)11-15-18-16(19-22-15)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKeyWWOOJOXCWUGMKO-UHFFFAOYSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide (CID 2991389) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is WWOOJOXCWUGMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12(2)20(17(21)14-9-6-10-23-14)11-15-18-16(19-22-15)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 2991389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).