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

C18H18N2O4 — CID 139059691

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1cccc(C2=NCCO2)c1.Oc1cccc(C2=NCCO2)c1
InChIInChI=1S/2C9H9NO2/c2*11-8-3-1-2-7(6-8)9-10-4-5-12-9/h2*1-3,6,11H,4-5H2
InChIKeyYAKCRQYMWYZTCW-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.34
Rot. Bonds2

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

3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 139059691) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID139059691
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1cccc(C2=NCCO2)c1.Oc1cccc(C2=NCCO2)c1
InChIInChI=1S/2C9H9NO2/c2*11-8-3-1-2-7(6-8)9-10-4-5-12-9/h2*1-3,6,11H,4-5H2
InChIKeyYAKCRQYMWYZTCW-UHFFFAOYSA-N
XLogP2.34
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 139059691) is 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol is Oc1cccc(C2=NCCO2)c1.Oc1cccc(C2=NCCO2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is YAKCRQYMWYZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9NO2/c2*11-8-3-1-2-7(6-8)9-10-4-5-12-9/h2*1-3,6,11H,4-5H2.
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 326.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 139059691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).