2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C19H18ClN3O2 — CID 53055628

IUPAC2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)c3ccccc3Cl)no2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-9-14(10-8-13)18-21-17(22-25-18)11-12-23(2)19(24)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3
InChIKeyXWHKCESNARWPID-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.01
Rot. Bonds5

About 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 53055628) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID53055628
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)c3ccccc3Cl)no2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-9-14(10-8-13)18-21-17(22-25-18)11-12-23(2)19(24)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3
InChIKeyXWHKCESNARWPID-UHFFFAOYSA-N
XLogP4.01
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055755
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
CID 53055639
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
CID 53055195
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 53055574
1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-phenylurea
CID 53055270
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744
3-(3-chloro-4-fluorophenyl)-1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 53055165
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 53055628) is 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is Cc1ccc(-c2nc(CCN(C)C(=O)c3ccccc3Cl)no2)cc1.
What is the InChIKey of 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is XWHKCESNARWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-7-9-14(10-8-13)18-21-17(22-25-18)11-12-23(2)19(24)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 53055628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).