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

C10H11NO2 — CID 69130498

IUPAC2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol
SMILESOc1ccccc1CC1=NCCO1
InChIInChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)7-10-11-5-6-13-10/h1-4,12H,5-7H2
InChIKeyPEVYLTOEBLZVHY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.36
Rot. Bonds2

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

2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol (PubChem CID 69130498) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol
PubChem CID69130498
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol
SMILESOc1ccccc1CC1=NCCO1
InChIInChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)7-10-11-5-6-13-10/h1-4,12H,5-7H2
InChIKeyPEVYLTOEBLZVHY-UHFFFAOYSA-N
XLogP1.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol (CID 69130498) is 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol is Oc1ccccc1CC1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol?
The InChIKey is PEVYLTOEBLZVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)7-10-11-5-6-13-10/h1-4,12H,5-7H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol?
2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol has a molecular weight of 177.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenol is sourced from PubChem (CID 69130498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).