1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole

C10H11NO — CID 91019399

IUPAC1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
SMILESc1ccc2c(c1)CC1COCN21
InChIInChI=1S/C10H11NO/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)10/h1-4,9H,5-7H2
InChIKeyFNBKMVRFBQGVEH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.41
Rot. Bonds

About 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole

1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole (PubChem CID 91019399) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole.

Molecular Properties

Compound Name1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
PubChem CID91019399
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
SMILESc1ccc2c(c1)CC1COCN21
InChIInChI=1S/C10H11NO/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)10/h1-4,9H,5-7H2
InChIKeyFNBKMVRFBQGVEH-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one
CID 68746226
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
(3aS)-1,2,3,3a,4,6-hexahydropyrrolo[1,2-a][4,1]benzoxazepine
CID 162399147
(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11298239
8-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 163236345
2,4,4a,5,6,7-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
CID 84672460
2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
CID 115107523
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
CID 102058923
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322
1,3,6-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 118198796

Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole?
The IUPAC name of 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole (CID 91019399) is 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole.
What is the SMILES notation for 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole?
The canonical SMILES for 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole is c1ccc2c(c1)CC1COCN21.
What is the InChIKey of 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole?
The InChIKey is FNBKMVRFBQGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-10-8(3-1)5-9-6-12-7-11(9)10/h1-4,9H,5-7H2.
What are the key properties of 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole?
1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole has a molecular weight of 161.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole is sourced from PubChem (CID 91019399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).