(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one

C6H10N2O2 — CID 118555788

IUPAC(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=C1N[C@@H]2CCNC[C@@H]2O1
InChIInChI=1S/C6H10N2O2/c9-6-8-4-1-2-7-3-5(4)10-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyJCJXPQUDQXMSLG-UHNVWZDZSA-N
MW142.16 g/mol
LogP-0.54
Rot. Bonds

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

(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 118555788) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID118555788
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=C1N[C@@H]2CCNC[C@@H]2O1
InChIInChI=1S/C6H10N2O2/c9-6-8-4-1-2-7-3-5(4)10-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyJCJXPQUDQXMSLG-UHNVWZDZSA-N
XLogP-0.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one with MolForge

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Related Compounds

rac-(3aR,7aS)-octahydro-(1,3)oxazolo(5,4-c)pyridin-2-one hydrochloride
CID 118555787
Perhydrooxazolo[5,4-c]pyridine
CID 129783459
ethyl (3aS,7aR)-2-oxo-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
CID 10954894
3a,5-dimethyl-4,6,7,7a-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 18685023
5-(3-Piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
CID 53653757
2-Oxo-3,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 67130274
methyl N-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)carbamate
CID 68282313
3-(3-Methoxypiperidin-4-yl)-1,3-oxazolidin-2-one
CID 68501720
3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
CID 68501721
3-[(3R,4R)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
CID 68501723
Tert-butyl 2-oxo-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
CID 71567031
Octahydro-[1,3]oxazolo[5,4-c]pyridin-2-one hydrochloride
CID 71567275

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 118555788) is (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one is O=C1N[C@@H]2CCNC[C@@H]2O1.
What is the InChIKey of (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is JCJXPQUDQXMSLG-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-6-8-4-1-2-7-3-5(4)10-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 118555788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).