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

C12H13NO3 — CID 174708303

IUPAC[4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol
SMILESCOc1ccccc1-c1c(CO)noc1C
InChIInChI=1S/C12H13NO3/c1-8-12(10(7-14)13-16-8)9-5-3-4-6-11(9)15-2/h3-6,14H,7H2,1-2H3
InChIKeyAFMLZKCVIBSKOM-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.15
Rot. Bonds3

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

[4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol (PubChem CID 174708303) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol
PubChem CID174708303
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol
SMILESCOc1ccccc1-c1c(CO)noc1C
InChIInChI=1S/C12H13NO3/c1-8-12(10(7-14)13-16-8)9-5-3-4-6-11(9)15-2/h3-6,14H,7H2,1-2H3
InChIKeyAFMLZKCVIBSKOM-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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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol (CID 174708303) is [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol is COc1ccccc1-c1c(CO)noc1C.
What is the InChIKey of [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol?
The InChIKey is AFMLZKCVIBSKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-12(10(7-14)13-16-8)9-5-3-4-6-11(9)15-2/h3-6,14H,7H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol?
[4-(2-methoxyphenyl)-5-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 [4-(2-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 174708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).