4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole

C11H10ClNO2 — CID 82128057

IUPAC4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
SMILESCOc1ccc(-c2coc(C)n2)cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3
InChIKeyZFWNPYHZUZAKJX-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.31
Rot. Bonds2

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

4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole (PubChem CID 82128057) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
PubChem CID82128057
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
SMILESCOc1ccc(-c2coc(C)n2)cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3
InChIKeyZFWNPYHZUZAKJX-UHFFFAOYSA-N
XLogP3.31
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583132
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583055
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole (CID 82128057) is 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole is COc1ccc(-c2coc(C)n2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole?
The InChIKey is ZFWNPYHZUZAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole?
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole has a molecular weight of 223.66 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 82128057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).