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

C15H23N3O — CID 171359472

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1nc2n(c1CN1CCC3CCCCC31)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
InChIKeyRNQUPCMZVNDKDW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds2

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

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 171359472) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID171359472
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESc1nc2n(c1CN1CCC3CCCCC31)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
InChIKeyRNQUPCMZVNDKDW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 171359472) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is c1nc2n(c1CN1CCC3CCCCC31)CCOC2.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is RNQUPCMZVNDKDW-UHFFFAOYSA-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.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 171359472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).