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

C11H12FNO2 — CID 56986394

IUPAC[3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC1=C(c2ccc(F)cc2)NOC1CO
InChIInChI=1S/C11H12FNO2/c1-7-10(6-14)15-13-11(7)8-2-4-9(12)5-3-8/h2-5,10,13-14H,6H2,1H3
InChIKeyKXGUANSRQBRCHR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.45
Rot. Bonds2

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

[3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 56986394) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID56986394
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name[3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC1=C(c2ccc(F)cc2)NOC1CO
InChIInChI=1S/C11H12FNO2/c1-7-10(6-14)15-13-11(7)8-2-4-9(12)5-3-8/h2-5,10,13-14H,6H2,1H3
InChIKeyKXGUANSRQBRCHR-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 56635512
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole
CID 91179463
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole
CID 91239341
1,1,1,3,3,3-Hexafluoro-2-[3-(4-methylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-2-ol
CID 91346383

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 56986394) is [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol is CC1=C(c2ccc(F)cc2)NOC1CO.
What is the InChIKey of [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is KXGUANSRQBRCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7-10(6-14)15-13-11(7)8-2-4-9(12)5-3-8/h2-5,10,13-14H,6H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 209.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56986394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).