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

C18H19N3O3S — CID 1258041

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1
InChIInChI=1S/C18H19N3O3S/c1-12(2)21(18(22)15-5-4-10-25-15)11-16-19-17(20-24-16)13-6-8-14(23-3)9-7-13/h4-10,12H,11H2,1-3H3
InChIKeyCHVBJOYRYMSKQD-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.86
Rot. Bonds6

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

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 1258041) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID1258041
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1
InChIInChI=1S/C18H19N3O3S/c1-12(2)21(18(22)15-5-4-10-25-15)11-16-19-17(20-24-16)13-6-8-14(23-3)9-7-13/h4-10,12H,11H2,1-3H3
InChIKeyCHVBJOYRYMSKQD-UHFFFAOYSA-N
XLogP3.86
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide (CID 1258041) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide is COc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is CHVBJOYRYMSKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(2)21(18(22)15-5-4-10-25-15)11-16-19-17(20-24-16)13-6-8-14(23-3)9-7-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 1258041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).