3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole

C8H15N3O — CID 76844613

IUPAC3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole
SMILESC1CC2NNCC2C2ONCC12
InChIInChI=1S/C8H15N3O/c1-2-7-6(4-9-11-7)8-5(1)3-10-12-8/h5-11H,1-4H2
InChIKeyFDGWASGJYQYZKW-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.61
Rot. Bonds

About 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole

3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole (PubChem CID 76844613) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole.

Molecular Properties

Compound Name3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole
PubChem CID76844613
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole
SMILESC1CC2NNCC2C2ONCC12
InChIInChI=1S/C8H15N3O/c1-2-7-6(4-9-11-7)8-5(1)3-10-12-8/h5-11H,1-4H2
InChIKeyFDGWASGJYQYZKW-UHFFFAOYSA-N
XLogP-0.61
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole with MolForge

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Related Compounds

2-oxa-3-azabicyclo[3.2.0]heptane
CID 175043364
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
CID 170905820
(1R,4S,7S)-7-bromo-2-azabicyclo[2.2.1]heptane
CID 98071510
7-azatricyclo[4.3.0.03,9]nonane
CID 45092436
1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
CID 170905962
6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 153432381
(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
CID 55253029
1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one
CID 89360708
ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
CID 177226765
7-bromo-4-chloro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 170906088
5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
CID 91292382
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole?
The IUPAC name of 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole (CID 76844613) is 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole.
What is the SMILES notation for 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole?
The canonical SMILES for 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole is C1CC2NNCC2C2ONCC12.
What is the InChIKey of 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole?
The InChIKey is FDGWASGJYQYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-7-6(4-9-11-7)8-5(1)3-10-12-8/h5-11H,1-4H2.
What are the key properties of 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole?
3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole has a molecular weight of 169.23 g/mol, XLogP of -0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole is sourced from PubChem (CID 76844613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).