[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

C10H9F2NO2 — CID 15375943

IUPAC[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOCC1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C10H9F2NO2/c11-7-2-1-3-8(12)9(7)10-13-6(4-14)5-15-10/h1-3,6,14H,4-5H2
InChIKeyOSPAMFQDYFOGNP-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.10
Rot. Bonds2

About [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 15375943) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID15375943
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOCC1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C10H9F2NO2/c11-7-2-1-3-8(12)9(7)10-13-6(4-14)5-15-10/h1-3,6,14H,4-5H2
InChIKeyOSPAMFQDYFOGNP-UHFFFAOYSA-N
XLogP1.10
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 15375943) is [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol is OCC1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is OSPAMFQDYFOGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-7-2-1-3-8(12)9(7)10-13-6(4-14)5-15-10/h1-3,6,14H,4-5H2.
What are the key properties of [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 213.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 15375943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).