2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

C10H11NO2 — CID 137193005

IUPAC2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCC1COC(c2ccccc2O)=N1
InChIInChI=1S/C10H11NO2/c1-7-6-13-10(11-7)8-4-2-3-5-9(8)12/h2-5,7,12H,6H2,1H3
InChIKeyKGISVLMJVUIWTL-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.56
Rot. Bonds1

About 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol

2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 137193005) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID137193005
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCC1COC(c2ccccc2O)=N1
InChIInChI=1S/C10H11NO2/c1-7-6-13-10(11-7)8-4-2-3-5-9(8)12/h2-5,7,12H,6H2,1H3
InChIKeyKGISVLMJVUIWTL-UHFFFAOYSA-N
XLogP1.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 137193005) is 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol is CC1COC(c2ccccc2O)=N1.
What is the InChIKey of 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is KGISVLMJVUIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-6-13-10(11-7)8-4-2-3-5-9(8)12/h2-5,7,12H,6H2,1H3.
What are the key properties of 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 177.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 137193005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).