4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole

C17H14ClNO2 — CID 59402951

IUPAC4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole
SMILESClc1ccc(-c2coc(COCc3ccccc3)n2)cc1
InChIInChI=1S/C17H14ClNO2/c18-15-8-6-14(7-9-15)16-11-21-17(19-16)12-20-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyXPNXQRWBHWPEGK-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.71
Rot. Bonds5

About 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole

4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole (PubChem CID 59402951) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole
PubChem CID59402951
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole
SMILESClc1ccc(-c2coc(COCc3ccccc3)n2)cc1
InChIInChI=1S/C17H14ClNO2/c18-15-8-6-14(7-9-15)16-11-21-17(19-16)12-20-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyXPNXQRWBHWPEGK-UHFFFAOYSA-N
XLogP4.71
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole (CID 59402951) is 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole is Clc1ccc(-c2coc(COCc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole?
The InChIKey is XPNXQRWBHWPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-15-8-6-14(7-9-15)16-11-21-17(19-16)12-20-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2.
What are the key properties of 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole?
4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole has a molecular weight of 299.76 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(phenylmethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 59402951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).