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

C12H14FNO3 — CID 56635512

IUPAC[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(Cc2ccc(F)cc2)NO1
InChIInChI=1S/C12H14FNO3/c13-10-3-1-9(2-4-10)5-11-6-12(7-15,8-16)17-14-11/h1-4,6,14-16H,5,7-8H2
InChIKeyTYIUJZQWESTDDC-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.51
Rot. Bonds4

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

[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (PubChem CID 56635512) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
PubChem CID56635512
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(Cc2ccc(F)cc2)NO1
InChIInChI=1S/C12H14FNO3/c13-10-3-1-9(2-4-10)5-11-6-12(7-15,8-16)17-14-11/h1-4,6,14-16H,5,7-8H2
InChIKeyTYIUJZQWESTDDC-UHFFFAOYSA-N
XLogP0.51
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
1,1,1,3,3,3-Hexafluoro-2-[3-(4-methylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-2-ol
CID 91346383
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
(5-methyl-3-phenyl-2H-1,2-oxazol-5-yl)methanol
CID 53877652
(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
CID 54227131
[3-benzyl-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 57271589

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (CID 56635512) is [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is OCC1(CO)C=C(Cc2ccc(F)cc2)NO1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The InChIKey is TYIUJZQWESTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-3-1-9(2-4-10)5-11-6-12(7-15,8-16)17-14-11/h1-4,6,14-16H,5,7-8H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol has a molecular weight of 239.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56635512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).