3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole

C17H14ClNO3 — CID 1480805

IUPAC3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole
SMILESCOc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C17H14ClNO3/c1-20-14-6-8-15(9-7-14)21-11-16-10-17(19-22-16)12-2-4-13(18)5-3-12/h2-10H,11H2,1H3
InChIKeyJMHSIXDMWJSNLA-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.58
Rot. Bonds5

About 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole

3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole (PubChem CID 1480805) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole
PubChem CID1480805
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole
SMILESCOc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C17H14ClNO3/c1-20-14-6-8-15(9-7-14)21-11-16-10-17(19-22-16)12-2-4-13(18)5-3-12/h2-10H,11H2,1H3
InChIKeyJMHSIXDMWJSNLA-UHFFFAOYSA-N
XLogP4.58
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.58
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-methoxyphenoxy)methyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole (CID 1480805) is 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole is COc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole?
The InChIKey is JMHSIXDMWJSNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-20-14-6-8-15(9-7-14)21-11-16-10-17(19-22-16)12-2-4-13(18)5-3-12/h2-10H,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2-oxazole has a molecular weight of 315.76 g/mol, XLogP of 4.58, 5 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-methoxyphenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 1480805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).