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

C22H27N3O2 — CID 166257658

IUPAC(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone
SMILESCC1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)C2CCCCC12
InChIInChI=1S/C22H27N3O2/c1-15-13-25(18-10-6-5-9-17(15)18)22(26)20-19-14-27-12-11-24(19)21(23-20)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3
InChIKeyDICMFQAIXWORHD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.73
Rot. Bonds2

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

(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone (PubChem CID 166257658) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone
PubChem CID166257658
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone
SMILESCC1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)C2CCCCC12
InChIInChI=1S/C22H27N3O2/c1-15-13-25(18-10-6-5-9-17(15)18)22(26)20-19-14-27-12-11-24(19)21(23-20)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3
InChIKeyDICMFQAIXWORHD-UHFFFAOYSA-N
XLogP3.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone?
The IUPAC name of (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone (CID 166257658) is (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone?
The canonical SMILES for (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone is CC1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)C2CCCCC12.
What is the InChIKey of (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone?
The InChIKey is DICMFQAIXWORHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-13-25(18-10-6-5-9-17(15)18)22(26)20-19-14-27-12-11-24(19)21(23-20)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3.
What are the key properties of (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone?
(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)methanone is sourced from PubChem (CID 166257658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).