8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C20H21FN2O2 — CID 146043436

IUPAC8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2(Cc3ccccc3)CN(Cc3ccccc3F)CCN12
InChIInChI=1S/C20H21FN2O2/c21-18-9-5-4-8-17(18)13-22-10-11-23-19(24)25-15-20(23,14-22)12-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyWLAVGLKTFUYUQA-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.08
Rot. Bonds4

About 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146043436) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146043436
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2(Cc3ccccc3)CN(Cc3ccccc3F)CCN12
InChIInChI=1S/C20H21FN2O2/c21-18-9-5-4-8-17(18)13-22-10-11-23-19(24)25-15-20(23,14-22)12-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyWLAVGLKTFUYUQA-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
3-Allyl-5-(4-benzhydryl-piperazin-1-ylmethyl)-oxazolidin-2-one
CID 76072441
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-cyclopropyl-oxazolidin-2-one
CID 76072443
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-cyclobutyl-oxazolidin-2-one
CID 76072471
3-[(2-Fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134808328
8-Acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810774
3-[(2-Fluorophenyl)methyl]-4-methyl-8-(2-morpholin-4-ylacetyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810893
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-tert-butyl-oxazolidin-2-one
CID 76072442
N-[(4-fluorophenyl)methyl]-3-oxospiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,1'-cyclohexane]-7-carboxamide
CID 166629313
(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
CID 58974220
8-Acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810976
(5S,6R)-6-(4-fluorophenyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 101538400

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146043436) is 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C1OCC2(Cc3ccccc3)CN(Cc3ccccc3F)CCN12.
What is the InChIKey of 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is WLAVGLKTFUYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-9-5-4-8-17(18)13-22-10-11-23-19(24)25-15-20(23,14-22)12-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 340.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-[(2-fluorophenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146043436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).