3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol

C15H16F2N2O2 — CID 56752367

IUPAC3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
SMILESOCCCN1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C15H16F2N2O2/c16-12-3-2-10(8-13(12)17)15-11-9-19(5-1-7-20)6-4-14(11)21-18-15/h2-3,8,20H,1,4-7,9H2
InChIKeyLPJKUGNZIJUTRQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.36
Rot. Bonds4

About 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol

3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol (PubChem CID 56752367) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
PubChem CID56752367
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
SMILESOCCCN1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C15H16F2N2O2/c16-12-3-2-10(8-13(12)17)15-11-9-19(5-1-7-20)6-4-14(11)21-18-15/h2-3,8,20H,1,4-7,9H2
InChIKeyLPJKUGNZIJUTRQ-UHFFFAOYSA-N
XLogP2.36
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]furan-2-yl]methanol
CID 25296785
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035
3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 30853187
(2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 95227255
3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226663
3-(3,4-difluorophenyl)-5-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226664
3-(3,4-difluorophenyl)-5-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 26320424
3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56742204
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
2-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetic acid
CID 56751638
4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56749369
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 42364581

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol (CID 56752367) is 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol is OCCCN1CCc2onc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol?
The InChIKey is LPJKUGNZIJUTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-12-3-2-10(8-13(12)17)15-11-9-19(5-1-7-20)6-4-14(11)21-18-15/h2-3,8,20H,1,4-7,9H2.
What are the key properties of 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol?
3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol has a molecular weight of 294.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol is sourced from PubChem (CID 56752367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).