2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol

C21H21FN2O3 — CID 26315289

IUPAC2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C21H21FN2O3/c22-18-7-3-2-6-16(18)21-17-14-24(10-9-20(17)27-23-21)13-15-5-1-4-8-19(15)26-12-11-25/h1-8,25H,9-14H2
InChIKeyKRMSWFNFHHGESG-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol

2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol (PubChem CID 26315289) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol
PubChem CID26315289
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C21H21FN2O3/c22-18-7-3-2-6-16(18)21-17-14-24(10-9-20(17)27-23-21)13-15-5-1-4-8-19(15)26-12-11-25/h1-8,25H,9-14H2
InChIKeyKRMSWFNFHHGESG-UHFFFAOYSA-N
XLogP3.41
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol (CID 26315289) is 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol is OCCOc1ccccc1CN1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol?
The InChIKey is KRMSWFNFHHGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-18-7-3-2-6-16(18)21-17-14-24(10-9-20(17)27-23-21)13-15-5-1-4-8-19(15)26-12-11-25/h1-8,25H,9-14H2.
What are the key properties of 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol?
2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol has a molecular weight of 368.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 26315289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).