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

C12H13NO3 — CID 54846669

IUPAC[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
SMILESCOc1ccc(-c2onc(CO)c2C)cc1
InChIInChI=1S/C12H13NO3/c1-8-11(7-14)13-16-12(8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3
InChIKeyUAHZYXHBZLSZEL-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.15
Rot. Bonds3

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

[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol (PubChem CID 54846669) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
PubChem CID54846669
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
SMILESCOc1ccc(-c2onc(CO)c2C)cc1
InChIInChI=1S/C12H13NO3/c1-8-11(7-14)13-16-12(8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3
InChIKeyUAHZYXHBZLSZEL-UHFFFAOYSA-N
XLogP2.15
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol
CID 54846772
4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one
CID 10727725
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
4-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
CID 135855800
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82389839
4-(4-methoxyphenyl)-2,3-dimethylselenophene
CID 153406978
4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 82373262
3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 83704376
[5-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 170459034
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
[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 [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol (CID 54846669) is [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol is COc1ccc(-c2onc(CO)c2C)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol?
The InChIKey is UAHZYXHBZLSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-11(7-14)13-16-12(8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol?
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 54846669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).