5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

C19H17ClFN3O2 — CID 22431765

IUPAC5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2nnc(Cc3ccc(F)cc3Cl)o2)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-12-2-4-13(5-3-12)8-9-22-18(25)19-24-23-17(26-19)10-14-6-7-15(21)11-16(14)20/h2-7,11H,8-10H2,1H3,(H,22,25)
InChIKeyGFNQLMRHUNYCMM-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.73
Rot. Bonds6

About 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431765) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431765
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2nnc(Cc3ccc(F)cc3Cl)o2)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-12-2-4-13(5-3-12)8-9-22-18(25)19-24-23-17(26-19)10-14-6-7-15(21)11-16(14)20/h2-7,11H,8-10H2,1H3,(H,22,25)
InChIKeyGFNQLMRHUNYCMM-UHFFFAOYSA-N
XLogP3.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide 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

5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-[(2-chloro-4-fluorophenyl)methyl]-N-(1-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 22431762
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
[5-[(2-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 22432241
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5051328
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940
5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487
N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
CID 22432108
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431765) is 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(CCNC(=O)c2nnc(Cc3ccc(F)cc3Cl)o2)cc1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GFNQLMRHUNYCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-12-2-4-13(5-3-12)8-9-22-18(25)19-24-23-17(26-19)10-14-6-7-15(21)11-16(14)20/h2-7,11H,8-10H2,1H3,(H,22,25).
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).