3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C15H23N3O — CID 138053387

IUPAC3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1nc2n(c1CN1CC[C@@H]3CCCC[C@@H]31)CCOC2
InChIInChI=1S/C15H23N3O/c1-2-4-14-12(3-1)5-6-17(14)10-13-9-16-15-11-19-8-7-18(13)15/h9,12,14H,1-8,10-11H2/t12-,14-/m0/s1
InChIKeyRNQUPCMZVNDKDW-JSGCOSHPSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds2

About 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 138053387) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID138053387
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1nc2n(c1CN1CC[C@@H]3CCCC[C@@H]31)CCOC2
InChIInChI=1S/C15H23N3O/c1-2-4-14-12(3-1)5-6-17(14)10-13-9-16-15-11-19-8-7-18(13)15/h9,12,14H,1-8,10-11H2/t12-,14-/m0/s1
InChIKeyRNQUPCMZVNDKDW-JSGCOSHPSA-N
XLogP2.18
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine with MolForge

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Related Compounds

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CID 82753407
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetaldehyde
CID 82749846
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 82752108
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
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5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82747148
[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine
CID 82750611
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
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1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 138053387) is 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is c1nc2n(c1CN1CC[C@@H]3CCCC[C@@H]31)CCOC2.
What is the InChIKey of 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is RNQUPCMZVNDKDW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-4-14-12(3-1)5-6-17(14)10-13-9-16-15-11-19-8-7-18(13)15/h9,12,14H,1-8,10-11H2/t12-,14-/m0/s1.
What are the key properties of 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 261.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 138053387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).