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

C10H9F2NO2 — CID 91204558

IUPAC[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(F)c(F)c2)NO1
InChIInChI=1S/C10H9F2NO2/c11-8-2-1-6(3-9(8)12)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2
InChIKeyRMDUWXFJJGQKPO-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.20
Rot. Bonds2

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

[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 91204558) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID91204558
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(F)c(F)c2)NO1
InChIInChI=1S/C10H9F2NO2/c11-8-2-1-6(3-9(8)12)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2
InChIKeyRMDUWXFJJGQKPO-UHFFFAOYSA-N
XLogP1.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079470
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
[3-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 56635512
3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
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-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57217620
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
3-(3-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90726686
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 91204558) is [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1C=C(c2ccc(F)c(F)c2)NO1.
What is the InChIKey of [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is RMDUWXFJJGQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-8-2-1-6(3-9(8)12)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2.
What are the key properties of [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 213.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 91204558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).