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

C19H21F2N3O3 — CID 26412151

IUPAC1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H21F2N3O3/c20-15-4-3-13(11-16(15)21)19-14-12-23(8-5-17(14)27-22-19)18(25)6-9-24-7-1-2-10-26-24/h3-4,11H,1-2,5-10,12H2
InChIKeyMJGHLZVKWRJATA-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.92
Rot. Bonds4

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

1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one (PubChem CID 26412151) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one
PubChem CID26412151
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H21F2N3O3/c20-15-4-3-13(11-16(15)21)19-14-12-23(8-5-17(14)27-22-19)18(25)6-9-24-7-1-2-10-26-24/h3-4,11H,1-2,5-10,12H2
InChIKeyMJGHLZVKWRJATA-UHFFFAOYSA-N
XLogP2.92
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one (CID 26412151) is 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one is O=C(CCN1CCCCO1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one?
The InChIKey is MJGHLZVKWRJATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c20-15-4-3-13(11-16(15)21)19-14-12-23(8-5-17(14)27-22-19)18(25)6-9-24-7-1-2-10-26-24/h3-4,11H,1-2,5-10,12H2.
What are the key properties of 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one?
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one has a molecular weight of 377.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(oxazinan-2-yl)propan-1-one is sourced from PubChem (CID 26412151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).