[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol

C12H12ClNO3 — CID 11747157

IUPAC[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(Cl)cc1-c1noc(C)c1CO
InChIInChI=1S/C12H12ClNO3/c1-7-10(6-15)12(14-17-7)9-5-8(13)3-4-11(9)16-2/h3-5,15H,6H2,1-2H3
InChIKeyRBWAOHQKFWLVLO-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.80
Rot. Bonds3

About [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol

[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol (PubChem CID 11747157) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
PubChem CID11747157
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCOc1ccc(Cl)cc1-c1noc(C)c1CO
InChIInChI=1S/C12H12ClNO3/c1-7-10(6-15)12(14-17-7)9-5-8(13)3-4-11(9)16-2/h3-5,15H,6H2,1-2H3
InChIKeyRBWAOHQKFWLVLO-UHFFFAOYSA-N
XLogP2.80
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868348
[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371289
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302
3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
CID 3545771
2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868265

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol (CID 11747157) is [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol is COc1ccc(Cl)cc1-c1noc(C)c1CO.
What is the InChIKey of [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The InChIKey is RBWAOHQKFWLVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-7-10(6-15)12(14-17-7)9-5-8(13)3-4-11(9)16-2/h3-5,15H,6H2,1-2H3.
What are the key properties of [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol?
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol has a molecular weight of 253.68 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 11747157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).