[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C10H10FNO2 — CID 22184733

IUPAC[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2
InChIKeyYPJOMXMBEWPWLL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.31
Rot. Bonds2

About [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 22184733) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID22184733
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2
InChIKeyYPJOMXMBEWPWLL-UHFFFAOYSA-N
XLogP1.31
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2981857
3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid
CID 649545
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
3-(4-Fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 2881538
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, oxime
CID 6069848
Fluvoxamine metabolite F2
CID 154032615
5,6-Dihydro-3-(4-methylphenyl)-4H-1,2-oxazine-6-methanol
CID 11390107
2-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetonitrile
CID 42647385
3-(3-Fluorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 60195260
3-(2-Fluorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71451462
3-(4-Fluorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71462180
3-Phenyl-5-hydroxymethylisoxazoline
CID 353147

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 22184733) is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is YPJOMXMBEWPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2.
What are the key properties of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 195.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 22184733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).