4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole

C17H14ClNO2 — CID 22009622

IUPAC4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
SMILESClCc1coc(-c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C17H14ClNO2/c18-10-15-12-21-17(19-15)14-7-4-8-16(9-14)20-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2
InChIKeyKBQZLEAKBBJYNJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.66
Rot. Bonds5

About 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole

4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole (PubChem CID 22009622) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
PubChem CID22009622
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
SMILESClCc1coc(-c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C17H14ClNO2/c18-10-15-12-21-17(19-15)14-7-4-8-16(9-14)20-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2
InChIKeyKBQZLEAKBBJYNJ-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
CID 68981989
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
CID 82125800
4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
2-(4-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030076

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole (CID 22009622) is 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole is ClCc1coc(-c2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole?
The InChIKey is KBQZLEAKBBJYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-10-15-12-21-17(19-15)14-7-4-8-16(9-14)20-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2.
What are the key properties of 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole?
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole has a molecular weight of 299.76 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 22009622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).