3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole

C16H12ClNO2 — CID 1480824

IUPAC3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(COc3ccccc3)on2)cc1
InChIInChI=1S/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-10-15(20-18-16)11-19-14-4-2-1-3-5-14/h1-10H,11H2
InChIKeyCYBLGWCAVOLVSV-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.57
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole

3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole (PubChem CID 1480824) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole
PubChem CID1480824
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(COc3ccccc3)on2)cc1
InChIInChI=1S/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-10-15(20-18-16)11-19-14-4-2-1-3-5-14/h1-10H,11H2
InChIKeyCYBLGWCAVOLVSV-UHFFFAOYSA-N
XLogP4.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole (CID 1480824) is 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole is Clc1ccc(-c2cc(COc3ccccc3)on2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole?
The InChIKey is CYBLGWCAVOLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-10-15(20-18-16)11-19-14-4-2-1-3-5-14/h1-10H,11H2.
What are the key properties of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole?
3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole has a molecular weight of 285.73 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2-oxazole is sourced from PubChem (CID 1480824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).