3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

C16H13ClN2O2 — CID 1121117

IUPAC3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-14-8-2-11(3-9-14)10-15-18-16(19-21-15)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3
InChIKeyNSGFUPOBDCEIOL-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.99
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 1121117) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID1121117
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-20-14-8-2-11(3-9-14)10-15-18-16(19-21-15)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3
InChIKeyNSGFUPOBDCEIOL-UHFFFAOYSA-N
XLogP3.99
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 1121117) is 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is NSGFUPOBDCEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-14-8-2-11(3-9-14)10-15-18-16(19-21-15)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 300.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1121117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).