2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol

C11H12FNO3 — CID 177210202

IUPAC2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol
SMILESCC(O)C1N=C(c2ccc(F)cc2)OC1O
InChIInChI=1S/C11H12FNO3/c1-6(14)9-11(15)16-10(13-9)7-2-4-8(12)5-3-7/h2-6,9,11,14-15H,1H3
InChIKeyKYUFRRAKHNWGCB-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.67
Rot. Bonds2

About 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol

2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol (PubChem CID 177210202) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol
PubChem CID177210202
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol
SMILESCC(O)C1N=C(c2ccc(F)cc2)OC1O
InChIInChI=1S/C11H12FNO3/c1-6(14)9-11(15)16-10(13-9)7-2-4-8(12)5-3-7/h2-6,9,11,14-15H,1H3
InChIKeyKYUFRRAKHNWGCB-UHFFFAOYSA-N
XLogP0.67
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol (CID 177210202) is 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol is CC(O)C1N=C(c2ccc(F)cc2)OC1O.
What is the InChIKey of 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
The InChIKey is KYUFRRAKHNWGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-6(14)9-11(15)16-10(13-9)7-2-4-8(12)5-3-7/h2-6,9,11,14-15H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol?
2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol has a molecular weight of 225.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(1-hydroxyethyl)-4,5-dihydro-1,3-oxazol-5-ol is sourced from PubChem (CID 177210202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).