3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C16H18F2N2O2 — CID 45171435

IUPAC3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOCC(C)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C16H18F2N2O2/c1-10(9-21-2)20-6-5-15-12(8-20)16(19-22-15)11-3-4-13(17)14(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyMIJQGJQZJPCVCL-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.01
Rot. Bonds4

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

3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 45171435) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID45171435
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCOCC(C)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C16H18F2N2O2/c1-10(9-21-2)20-6-5-15-12(8-20)16(19-22-15)11-3-4-13(17)14(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyMIJQGJQZJPCVCL-UHFFFAOYSA-N
XLogP3.01
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 45171435) is 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is COCC(C)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is MIJQGJQZJPCVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-10(9-21-2)20-6-5-15-12(8-20)16(19-22-15)11-3-4-13(17)14(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 308.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 45171435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).