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

C19H17N5O2S — CID 53177978

IUPACN-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc(-c3noc(-c4cccs4)n3)c2)cc1
InChIInChI=1S/C19H17N5O2S/c1-13-4-6-14(7-5-13)9-20-17(25)11-24-10-15(21-12-24)18-22-19(26-23-18)16-3-2-8-27-16/h2-8,10,12H,9,11H2,1H3,(H,20,25)
InChIKeyWCCBWBBUWULAGM-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.29
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (PubChem CID 53177978) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
PubChem CID53177978
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc(-c3noc(-c4cccs4)n3)c2)cc1
InChIInChI=1S/C19H17N5O2S/c1-13-4-6-14(7-5-13)9-20-17(25)11-24-10-15(21-12-24)18-22-19(26-23-18)16-3-2-8-27-16/h2-8,10,12H,9,11H2,1H3,(H,20,25)
InChIKeyWCCBWBBUWULAGM-UHFFFAOYSA-N
XLogP3.29
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53178147
N-[(4-methylphenyl)methyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177999
N-phenyl-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177985
N-(2-ethylphenyl)-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177977
N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904
N-[(4-chlorophenyl)methyl]-2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178141
N-[(2-fluorophenyl)methyl]-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177970
N-(3-methylphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177955
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 50786860

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide (CID 53177978) is N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2cnc(-c3noc(-c4cccs4)n3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
The InChIKey is WCCBWBBUWULAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-13-4-6-14(7-5-13)9-20-17(25)11-24-10-15(21-12-24)18-22-19(26-23-18)16-3-2-8-27-16/h2-8,10,12H,9,11H2,1H3,(H,20,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53177978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).