(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one

C7H12N2O2 — CID 125477043

IUPAC(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one
SMILESO=C1OC[C@@H]2NCCCCN12
InChIInChI=1S/C7H12N2O2/c10-7-9-4-2-1-3-8-6(9)5-11-7/h6,8H,1-5H2/t6-/m1/s1
InChIKeyLRUCYBDLLJAQMH-ZCFIWIBFSA-N
MW156.18 g/mol
LogP0.15
Rot. Bonds

About (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one

(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one (PubChem CID 125477043) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one
PubChem CID125477043
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one
SMILESO=C1OC[C@@H]2NCCCCN12
InChIInChI=1S/C7H12N2O2/c10-7-9-4-2-1-3-8-6(9)5-11-7/h6,8H,1-5H2/t6-/m1/s1
InChIKeyLRUCYBDLLJAQMH-ZCFIWIBFSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-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

4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
CID 115102433
(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 27282253
1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 22562207
1-piperidin-2-ylimidazolidin-2-one
CID 112546311
2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 115102426
(9aS)-2,3,4,5,9,9a-hexahydro-1H-[1,3]thiazolo[3,4-a][1,3]diazepine-7-thione
CID 125477030
7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 13092247
(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11378639
4-piperidin-2-ylmorpholin-2-one
CID 112546370
6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 55253879
3-piperidin-4-yl-1,3-oxazinan-2-one
CID 22137522
4-piperidin-1-yl-1,3-oxazolidin-2-one
CID 533526

Frequently Asked Questions

What is the IUPAC name of (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one?
The IUPAC name of (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one (CID 125477043) is (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one.
What is the SMILES notation for (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one?
The canonical SMILES for (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one is O=C1OC[C@@H]2NCCCCN12.
What is the InChIKey of (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one?
The InChIKey is LRUCYBDLLJAQMH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7-9-4-2-1-3-8-6(9)5-11-7/h6,8H,1-5H2/t6-/m1/s1.
What are the key properties of (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one?
(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one has a molecular weight of 156.18 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one is sourced from PubChem (CID 125477043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).