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

C18H16ClN3O3 — CID 2991559

IUPAC5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C18H16ClN3O3/c1-11-4-3-5-12(8-11)17-21-16(25-22-17)10-20-18(23)14-9-13(19)6-7-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyOORBWVBNMKKYNQ-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.64
Rot. Bonds5

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

5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 2991559) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID2991559
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C18H16ClN3O3/c1-11-4-3-5-12(8-11)17-21-16(25-22-17)10-20-18(23)14-9-13(19)6-7-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyOORBWVBNMKKYNQ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 2991559) is 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is OORBWVBNMKKYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11-4-3-5-12(8-11)17-21-16(25-22-17)10-20-18(23)14-9-13(19)6-7-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 357.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 2991559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).