1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one

C13H15FN2O2 — CID 115007161

IUPAC1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=C1OC2CNCCC2N1Cc1ccccc1F
InChIInChI=1S/C13H15FN2O2/c14-10-4-2-1-3-9(10)8-16-11-5-6-15-7-12(11)18-13(16)17/h1-4,11-12,15H,5-8H2
InChIKeyXJGLCZRVJQSFAK-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.51
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one

1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 115007161) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID115007161
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=C1OC2CNCCC2N1Cc1ccccc1F
InChIInChI=1S/C13H15FN2O2/c14-10-4-2-1-3-9(10)8-16-11-5-6-15-7-12(11)18-13(16)17/h1-4,11-12,15H,5-8H2
InChIKeyXJGLCZRVJQSFAK-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-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

1-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007163
1-[(3-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007168
1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007169
3-[(2-methylphenyl)methyl]-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 115007131
3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065131
1-benzyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
CID 151179103
(3aR,6aS)-3-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133115140
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 115007161) is 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is O=C1OC2CNCCC2N1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is XJGLCZRVJQSFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-4-2-1-3-9(10)8-16-11-5-6-15-7-12(11)18-13(16)17/h1-4,11-12,15H,5-8H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 115007161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).