N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide

C18H16ClN3O2 — CID 17101552

IUPACN-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2nc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-5-7-13(10-11)17(23)20-12(2)18-21-16(22-24-18)14-8-3-4-9-15(14)19/h3-10,12H,1-2H3,(H,20,23)
InChIKeyMOLVBCJFGQUCHB-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.19
Rot. Bonds4

About N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide (PubChem CID 17101552) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
PubChem CID17101552
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2nc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-5-7-13(10-11)17(23)20-12(2)18-21-16(22-24-18)14-8-3-4-9-15(14)19/h3-10,12H,1-2H3,(H,20,23)
InChIKeyMOLVBCJFGQUCHB-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 92580919
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166382841
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 83286859
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63352599
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101563
N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 167809122
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide (CID 17101552) is N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2nc(-c3ccccc3Cl)no2)c1.
What is the InChIKey of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide?
The InChIKey is MOLVBCJFGQUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-6-5-7-13(10-11)17(23)20-12(2)18-21-16(22-24-18)14-8-3-4-9-15(14)19/h3-10,12H,1-2H3,(H,20,23).
What are the key properties of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide?
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide has a molecular weight of 341.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 17101552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).