(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline

C10H14N2O — CID 67915844

IUPAC(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline
SMILESc1nc2c(o1)C[C@@H]1NCCC[C@H]1C2
InChIInChI=1S/C10H14N2O/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h6-8,11H,1-5H2/t7-,8-/m0/s1
InChIKeyBVVZVYPJRZYQTE-YUMQZZPRSA-N
MW178.23 g/mol
LogP1.14
Rot. Bonds

About (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline

(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline (PubChem CID 67915844) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline.

Molecular Properties

Compound Name(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline
PubChem CID67915844
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline
SMILESc1nc2c(o1)C[C@@H]1NCCC[C@H]1C2
InChIInChI=1S/C10H14N2O/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h6-8,11H,1-5H2/t7-,8-/m0/s1
InChIKeyBVVZVYPJRZYQTE-YUMQZZPRSA-N
XLogP1.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline with MolForge

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Related Compounds

3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine
CID 15010080
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
CID 14879705
(4aS,8aR)-7-(6-bromo-5-methoxy-3-pyridinyl)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 87915016
2-cyclopentylpyrrolidine
CID 4031549
(4aR,8aS)-7-(5-ethynyl-3-pyridinyl)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 87915186
(2S)-2-pyrrolidin-2-yl-2,3-dihydrofuro[3,2-b]pyridine
CID 57257469
3-methyl-7-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 112713363
2-(1,3-benzodioxol-2-yl)pyrrolidine
CID 144586760
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
CID 142187825

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline?
The IUPAC name of (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline (CID 67915844) is (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline.
What is the SMILES notation for (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline?
The canonical SMILES for (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline is c1nc2c(o1)C[C@@H]1NCCC[C@H]1C2.
What is the InChIKey of (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline?
The InChIKey is BVVZVYPJRZYQTE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h6-8,11H,1-5H2/t7-,8-/m0/s1.
What are the key properties of (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline?
(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline has a molecular weight of 178.23 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline is sourced from PubChem (CID 67915844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).