4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol

C12H13NO2 — CID 2764216

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol
SMILESCc1noc(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C12H13NO2/c1-8-12(9(2)15-13-8)7-10-3-5-11(14)6-4-10/h3-6,14H,7H2,1-2H3
InChIKeyJIQYQBSFMDEVIJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.59
Rot. Bonds2

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol (PubChem CID 2764216) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol
PubChem CID2764216
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol
SMILESCc1noc(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C12H13NO2/c1-8-12(9(2)15-13-8)7-10-3-5-11(14)6-4-10/h3-6,14H,7H2,1-2H3
InChIKeyJIQYQBSFMDEVIJ-UHFFFAOYSA-N
XLogP2.59
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol (CID 2764216) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol is Cc1noc(C)c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol?
The InChIKey is JIQYQBSFMDEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-12(9(2)15-13-8)7-10-3-5-11(14)6-4-10/h3-6,14H,7H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol has a molecular weight of 203.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]phenol is sourced from PubChem (CID 2764216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).