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

C18H19N3O2S — CID 53126019

IUPACN-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1
InChIInChI=1S/C18H19N3O2S/c1-11(2)13-4-6-14(7-5-13)18-20-17(21-23-18)16-9-8-15(24-16)10-19-12(3)22/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyRZURCCTWDBSRGP-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.22
Rot. Bonds5

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

N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide (PubChem CID 53126019) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
PubChem CID53126019
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1
InChIInChI=1S/C18H19N3O2S/c1-11(2)13-4-6-14(7-5-13)18-20-17(21-23-18)16-9-8-15(24-16)10-19-12(3)22/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyRZURCCTWDBSRGP-UHFFFAOYSA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide (CID 53126019) is N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2noc(-c3ccc(C(C)C)cc3)n2)s1.
What is the InChIKey of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide?
The InChIKey is RZURCCTWDBSRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11(2)13-4-6-14(7-5-13)18-20-17(21-23-18)16-9-8-15(24-16)10-19-12(3)22/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide?
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 53126019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).