(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one

C19H22FN3O3 — CID 51583735

IUPAC(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3/c1-13(22-7-9-25-10-8-22)19(24)23-6-5-17-16(12-23)18(21-26-17)14-3-2-4-15(20)11-14/h2-4,11,13H,5-10,12H2,1H3/t13-/m0/s1
InChIKeyKPBLDGFSGORDKO-ZDUSSCGKSA-N
MW359.40 g/mol
LogP2.09
Rot. Bonds3

About (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one

(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 51583735) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID51583735
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3/c1-13(22-7-9-25-10-8-22)19(24)23-6-5-17-16(12-23)18(21-26-17)14-3-2-4-15(20)11-14/h2-4,11,13H,5-10,12H2,1H3/t13-/m0/s1
InChIKeyKPBLDGFSGORDKO-ZDUSSCGKSA-N
XLogP2.09
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one (CID 51583735) is (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)N1CCOCC1.
What is the InChIKey of (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is KPBLDGFSGORDKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13(22-7-9-25-10-8-22)19(24)23-6-5-17-16(12-23)18(21-26-17)14-3-2-4-15(20)11-14/h2-4,11,13H,5-10,12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 359.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 51583735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).