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

C13H15ClN2O2 — CID 115007169

IUPAC1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=C1OC2CNCCC2N1Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c14-10-3-1-2-9(6-10)8-16-11-4-5-15-7-12(11)18-13(16)17/h1-3,6,11-12,15H,4-5,7-8H2
InChIKeyRVRZACNCXUZYBB-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.02
Rot. Bonds2

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

1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 115007169) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID115007169
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=C1OC2CNCCC2N1Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c14-10-3-1-2-9(6-10)8-16-11-4-5-15-7-12(11)18-13(16)17/h1-3,6,11-12,15H,4-5,7-8H2
InChIKeyRVRZACNCXUZYBB-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chlorophenyl)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-[(3-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007168
1-[(2-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007163
1-benzyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one
CID 151179103
(4aR,8aS)-1-[2-(3-chlorophenyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 118759259
(3aR,7aS)-3-benzyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 15530655
3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064356
3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065021
1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride
CID 170910040
(5S)-1-[(3-chlorophenyl)methyl]-5-phenylimidazolidin-2-one
CID 124677204
3-benzyl-4,6,7,7a-tetrahydro-3aH-1,3-benzoxazole-2,5-dione
CID 89439989
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
5-pyrrolidin-3-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115065111

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 115007169) is 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is O=C1OC2CNCCC2N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is RVRZACNCXUZYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-3-1-2-9(6-10)8-16-11-4-5-15-7-12(11)18-13(16)17/h1-3,6,11-12,15H,4-5,7-8H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 115007169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).