5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol

C12H13NO2 — CID 53218794

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
SMILESCc1ccc(-c2c(C)noc2C)cc1O
InChIInChI=1S/C12H13NO2/c1-7-4-5-10(6-11(7)14)12-8(2)13-15-9(12)3/h4-6,14H,1-3H3
InChIKeyJDBRUEZKBWMXKD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.97
Rot. Bonds1

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol (PubChem CID 53218794) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
PubChem CID53218794
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
SMILESCc1ccc(-c2c(C)noc2C)cc1O
InChIInChI=1S/C12H13NO2/c1-7-4-5-10(6-11(7)14)12-8(2)13-15-9(12)3/h4-6,14H,1-3H3
InChIKeyJDBRUEZKBWMXKD-UHFFFAOYSA-N
XLogP2.97
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol (CID 53218794) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol is Cc1ccc(-c2c(C)noc2C)cc1O.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol?
The InChIKey is JDBRUEZKBWMXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-4-5-10(6-11(7)14)12-8(2)13-15-9(12)3/h4-6,14H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol has a molecular weight of 203.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol is sourced from PubChem (CID 53218794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).