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

C17H14ClNO2 — CID 118321395

IUPAC3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C17H14ClNO2/c1-12-2-8-15(9-3-12)20-11-16-10-17(19-21-16)13-4-6-14(18)7-5-13/h2-10H,11H2,1H3
InChIKeyIFCCTXBFXFQWDO-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.88
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole (PubChem CID 118321395) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
PubChem CID118321395
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C17H14ClNO2/c1-12-2-8-15(9-3-12)20-11-16-10-17(19-21-16)13-4-6-14(18)7-5-13/h2-10H,11H2,1H3
InChIKeyIFCCTXBFXFQWDO-UHFFFAOYSA-N
XLogP4.88
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
5-chloro-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]benzamide
CID 46696629
(4R)-3-[[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 25074033
3-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69197842
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
5-(iodomethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 64787197
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole (CID 118321395) is 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole is Cc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole?
The InChIKey is IFCCTXBFXFQWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12-2-8-15(9-3-12)20-11-16-10-17(19-21-16)13-4-6-14(18)7-5-13/h2-10H,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole has a molecular weight of 299.76 g/mol, XLogP of 4.88, 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-[(4-methylphenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 118321395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).