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

C16H12ClFN2O2 — CID 147373071

IUPAC2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1cc(Cl)ccc1OCc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
InChIKeyDJMFDCAWHOECHU-UHFFFAOYSA-N
MW318.74 g/mol
LogP4.42
Rot. Bonds4

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

2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 147373071) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID147373071
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCc1cc(Cl)ccc1OCc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
InChIKeyDJMFDCAWHOECHU-UHFFFAOYSA-N
XLogP4.42
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 54.42
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-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 147373071) is 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is Cc1cc(Cl)ccc1OCc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is DJMFDCAWHOECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 318.74 g/mol, XLogP of 4.42, 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-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 147373071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).