1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole

C19H19NO — CID 139261397

IUPAC1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
SMILESCC1(c2ccccc2)OCCCn2c1cc1ccccc12
InChIInChI=1S/C19H19NO/c1-19(16-9-3-2-4-10-16)18-14-15-8-5-6-11-17(15)20(18)12-7-13-21-19/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyKJQOFTWMADKQEF-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.33
Rot. Bonds1

About 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole

1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole (PubChem CID 139261397) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole.

Molecular Properties

Compound Name1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
PubChem CID139261397
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
SMILESCC1(c2ccccc2)OCCCn2c1cc1ccccc12
InChIInChI=1S/C19H19NO/c1-19(16-9-3-2-4-10-16)18-14-15-8-5-6-11-17(15)20(18)12-7-13-21-19/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyKJQOFTWMADKQEF-UHFFFAOYSA-N
XLogP4.33
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
CID 102443855
3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole
CID 15287249
1,3,9-trimethyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
CID 102443863
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 15287247
ethane;15-oxa-10-azapentacyclo[14.8.0.02,10.04,9.019,24]tetracosa-1(16),2,4,6,8,17,19,21,23-nonaene
CID 145398962
(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine
CID 122395889
1-(2,2-dimethyloxan-4-yl)indole-2-carboxylic acid
CID 13449730
(2S)-2-methyl-2-phenyloxirane
CID 11629614
4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
CID 14926383
2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
1-(2-methyl-4,4-diphenyl-1,3-dioxolan-2-yl)piperidine;hydroiodide
CID 175104910
benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 142283435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole?
The IUPAC name of 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole (CID 139261397) is 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole.
What is the SMILES notation for 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole?
The canonical SMILES for 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole is CC1(c2ccccc2)OCCCn2c1cc1ccccc12.
What is the InChIKey of 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole?
The InChIKey is KJQOFTWMADKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(16-9-3-2-4-10-16)18-14-15-8-5-6-11-17(15)20(18)12-7-13-21-19/h2-6,8-11,14H,7,12-13H2,1H3.
What are the key properties of 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole?
1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole has a molecular weight of 277.37 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole is sourced from PubChem (CID 139261397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).