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

C16H15N3O2S — CID 53161973

IUPACN-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)10-17-14(20)9-15-18-19-16(21-15)13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyGYAAXUKYTFLVEO-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.97
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53161973) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53161973
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)10-17-14(20)9-15-18-19-16(21-15)13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyGYAAXUKYTFLVEO-UHFFFAOYSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971
N-[(4-methylphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162117
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9375414
N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 172709806
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100271
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53161973) is N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(CNC(=O)Cc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is GYAAXUKYTFLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)10-17-14(20)9-15-18-19-16(21-15)13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53161973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).