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

C18H16ClN3O3 — CID 17101554

IUPACN-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C18H16ClN3O3/c1-11(20-17(23)12-6-5-7-13(10-12)24-2)18-21-16(22-25-18)14-8-3-4-9-15(14)19/h3-11H,1-2H3,(H,20,23)
InChIKeyMIHBJYYXTOADCH-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.89
Rot. Bonds5

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

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide (PubChem CID 17101554) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
PubChem CID17101554
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C18H16ClN3O3/c1-11(20-17(23)12-6-5-7-13(10-12)24-2)18-21-16(22-25-18)14-8-3-4-9-15(14)19/h3-11H,1-2H3,(H,20,23)
InChIKeyMIHBJYYXTOADCH-UHFFFAOYSA-N
XLogP3.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 92580919
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63352599
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide (CID 17101554) is N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide is COc1cccc(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-methoxybenzamide?
The InChIKey is MIHBJYYXTOADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11(20-17(23)12-6-5-7-13(10-12)24-2)18-21-16(22-25-18)14-8-3-4-9-15(14)19/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide?
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide has a molecular weight of 357.80 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxybenzamide is sourced from PubChem (CID 17101554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).