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

C17H14ClNO2 — CID 1484373

IUPAC5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESCc1cc(Cl)ccc1OCc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H14ClNO2/c1-12-9-14(18)7-8-17(12)20-11-15-10-16(19-21-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyQFGBHXXFEVWQJQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.88
Rot. Bonds4

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

5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole (PubChem CID 1484373) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
PubChem CID1484373
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESCc1cc(Cl)ccc1OCc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H14ClNO2/c1-12-9-14(18)7-8-17(12)20-11-15-10-16(19-21-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyQFGBHXXFEVWQJQ-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-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62458540
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
5-chloro-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]benzamide
CID 46696629
1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076714
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326649

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole (CID 1484373) is 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole is Cc1cc(Cl)ccc1OCc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole?
The InChIKey is QFGBHXXFEVWQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12-9-14(18)7-8-17(12)20-11-15-10-16(19-21-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole?
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-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 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 1484373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).