4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole

C20H14ClNO2 — CID 151594430

IUPAC4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
SMILESCOc1ccc(-c2oncc2-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C20H14ClNO2/c1-23-19-11-10-16(13-6-2-3-8-15(13)19)20-17(12-22-24-20)14-7-4-5-9-18(14)21/h2-12H,1H3
InChIKeyQJEFMCWAQQLALM-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.82
Rot. Bonds3

About 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole

4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole (PubChem CID 151594430) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
PubChem CID151594430
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
SMILESCOc1ccc(-c2oncc2-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C20H14ClNO2/c1-23-19-11-10-16(13-6-2-3-8-15(13)19)20-17(12-22-24-20)14-7-4-5-9-18(14)21/h2-12H,1H3
InChIKeyQJEFMCWAQQLALM-UHFFFAOYSA-N
XLogP5.82
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The IUPAC name of 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole (CID 151594430) is 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole is COc1ccc(-c2oncc2-c2ccccc2Cl)c2ccccc12.
What is the InChIKey of 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The InChIKey is QJEFMCWAQQLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2/c1-23-19-11-10-16(13-6-2-3-8-15(13)19)20-17(12-22-24-20)14-7-4-5-9-18(14)21/h2-12H,1H3.
What are the key properties of 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole has a molecular weight of 335.79 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole is sourced from PubChem (CID 151594430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).