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

C17H15ClN2O2 — CID 17178068

IUPAC2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cc(Cl)ccc1OCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C17H15ClN2O2/c1-11-5-3-4-6-14(11)17-20-19-16(22-17)10-21-15-8-7-13(18)9-12(15)2/h3-9H,10H2,1-2H3
InChIKeyJEAZGAFRTMUSHS-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.59
Rot. Bonds4

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

2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 17178068) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID17178068
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cc(Cl)ccc1OCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C17H15ClN2O2/c1-11-5-3-4-6-14(11)17-20-19-16(22-17)10-21-15-8-7-13(18)9-12(15)2/h3-9H,10H2,1-2H3
InChIKeyJEAZGAFRTMUSHS-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 17178068) is 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1cc(Cl)ccc1OCc1nnc(-c2ccccc2C)o1.
What is the InChIKey of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is JEAZGAFRTMUSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-5-3-4-6-14(11)17-20-19-16(22-17)10-21-15-8-7-13(18)9-12(15)2/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-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 2-[(4-chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 17178068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).