(8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C17H21FN2O2 — CID 59904250

IUPAC(8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESC=C1OC(=O)N2CCN(C(C)C)C[C@@]12Cc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-12(2)19-8-9-20-16(21)22-13(3)17(20,11-19)10-14-6-4-5-7-15(14)18/h4-7,12H,3,8-11H2,1-2H3/t17-/m0/s1
InChIKeyYFTQIALHEIAFOS-KRWDZBQOSA-N
MW304.36 g/mol
LogP2.80
Rot. Bonds3

About (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 59904250) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID59904250
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name(8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESC=C1OC(=O)N2CCN(C(C)C)C[C@@]12Cc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-12(2)19-8-9-20-16(21)22-13(3)17(20,11-19)10-14-6-4-5-7-15(14)18/h4-7,12H,3,8-11H2,1-2H3/t17-/m0/s1
InChIKeyYFTQIALHEIAFOS-KRWDZBQOSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

4-[(4-Fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 22386706
8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 22957211
4-(4-Fluorobenzyl)-2-oxo-1-oxa-3,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CID 57458012
(1S,8aS)-1-[(1S)-2-(3,5-difluorophenyl)-1-(methylamino)ethyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 59757757
(1S,8aS)-1-[(1S)-2-(3,5-difluorophenyl)-1-(methylamino)ethyl]-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 59757761
(8aR)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 59959648
(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 67527341
1-[1-Amino-2-(3,5-difluorophenyl)ethyl]-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 69297793
1-[1-Amino-2-(3,5-difluoro-phenyl)-ethyl]-hexahydro-oxazolo[3,4-a]pyridin-3-one
CID 69297854
tert-butyl (4S)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69537006
tert-butyl 8a-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-6-oxo-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 69867666
(4S)-3-[2-[1-[[(1S)-cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-yl]ethyl]-4-[(4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 90272626

Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 59904250) is (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one is C=C1OC(=O)N2CCN(C(C)C)C[C@@]12Cc1ccccc1F.
What is the InChIKey of (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is YFTQIALHEIAFOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(2)19-8-9-20-16(21)22-13(3)17(20,11-19)10-14-6-4-5-7-15(14)18/h4-7,12H,3,8-11H2,1-2H3/t17-/m0/s1.
What are the key properties of (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 304.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-[(2-fluorophenyl)methyl]-1-methylidene-7-propan-2-yl-6,8-dihydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 59904250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).