(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

C18H17NO — CID 102443855

IUPAC(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESC[C@]1(c2ccccc2)OCCn2c1cc1ccccc12
InChIInChI=1S/C18H17NO/c1-18(15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)19(17)11-12-20-18/h2-10,13H,11-12H2,1H3/t18-/m1/s1
InChIKeyAXJHOYSPSFCIAH-GOSISDBHSA-N
MW263.34 g/mol
LogP3.93
Rot. Bonds1

About (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (PubChem CID 102443855) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
PubChem CID102443855
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESC[C@]1(c2ccccc2)OCCn2c1cc1ccccc12
InChIInChI=1S/C18H17NO/c1-18(15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)19(17)11-12-20-18/h2-10,13H,11-12H2,1H3/t18-/m1/s1
InChIKeyAXJHOYSPSFCIAH-GOSISDBHSA-N
XLogP3.93
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
CID 139261397
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
1-(2,2-dimethyloxan-4-yl)indole-2-carboxylic acid
CID 13449730
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 101229912
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
CID 14926383
1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
CID 12515577
2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid
CID 12515573
(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]
CID 14636114
(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The IUPAC name of (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (CID 102443855) is (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is C[C@]1(c2ccccc2)OCCn2c1cc1ccccc12.
What is the InChIKey of (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The InChIKey is AXJHOYSPSFCIAH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO/c1-18(15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)19(17)11-12-20-18/h2-10,13H,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole has a molecular weight of 263.34 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 102443855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).