4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

C12H12ClNO2 — CID 14479955

IUPAC4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CCl)c(C)o2)cc1
InChIInChI=1S/C12H12ClNO2/c1-8-11(7-13)14-12(16-8)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyLCZPNWWYXZSYJO-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.40
Rot. Bonds3

About 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 14479955) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID14479955
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CCl)c(C)o2)cc1
InChIInChI=1S/C12H12ClNO2/c1-8-11(7-13)14-12(16-8)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyLCZPNWWYXZSYJO-UHFFFAOYSA-N
XLogP3.40
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.40
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

[4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]phenyl] acetate
CID 69217279
4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylaniline
CID 82087527
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 22507101
4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 54399671
methyl 5-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-2-methylbenzoate
CID 23076346
[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086248
4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 53404213
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (CID 14479955) is 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(CCl)c(C)o2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is LCZPNWWYXZSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8-11(7-13)14-12(16-8)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 237.69 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 14479955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).