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

C19H17N3O3S — CID 162664557

IUPACN-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O3S/c1-12(2)22(11-17-20-18(21-25-17)16-8-5-9-26-16)19(23)15-10-13-6-3-4-7-14(13)24-15/h3-10,12H,11H2,1-2H3
InChIKeyODVVYGPPFUOYPT-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.60
Rot. Bonds5

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

N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 162664557) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID162664557
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O3S/c1-12(2)22(11-17-20-18(21-25-17)16-8-5-9-26-16)19(23)15-10-13-6-3-4-7-14(13)24-15/h3-10,12H,11H2,1-2H3
InChIKeyODVVYGPPFUOYPT-UHFFFAOYSA-N
XLogP4.60
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 162664557) is N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ODVVYGPPFUOYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12(2)22(11-17-20-18(21-25-17)16-8-5-9-26-16)19(23)15-10-13-6-3-4-7-14(13)24-15/h3-10,12H,11H2,1-2H3.
What are the key properties of N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162664557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).