5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C17H15ClN2O2 — CID 7916308

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(OCc2nc(-c3ccccc3C)no2)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-5-3-4-6-14(11)17-19-16(22-20-17)10-21-13-7-8-15(18)12(2)9-13/h3-9H,10H2,1-2H3
InChIKeyQWPDDEOLDXIUBH-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.59
Rot. Bonds4

About 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 7916308) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID7916308
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(OCc2nc(-c3ccccc3C)no2)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-5-3-4-6-14(11)17-19-16(22-20-17)10-21-13-7-8-15(18)12(2)9-13/h3-9H,10H2,1-2H3
InChIKeyQWPDDEOLDXIUBH-UHFFFAOYSA-N
XLogP4.59
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7894242
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378
5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926658
3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 17325291
5-[(4-bromo-3-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 583217
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
5-[(3,4-dimethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 807858

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 7916308) is 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1cc(OCc2nc(-c3ccccc3C)no2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is QWPDDEOLDXIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-5-3-4-6-14(11)17-19-16(22-20-17)10-21-13-7-8-15(18)12(2)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 314.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 7916308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).