3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole

C13H20N2O — CID 71869589

IUPAC3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole
SMILESCC1CC2CCCCC2N1Cc1ccon1
InChIInChI=1S/C13H20N2O/c1-10-8-11-4-2-3-5-13(11)15(10)9-12-6-7-16-14-12/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyRIDCMWWEBZUAEV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.83
Rot. Bonds2

About 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole

3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole (PubChem CID 71869589) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole
PubChem CID71869589
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole
SMILESCC1CC2CCCCC2N1Cc1ccon1
InChIInChI=1S/C13H20N2O/c1-10-8-11-4-2-3-5-13(11)15(10)9-12-6-7-16-14-12/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyRIDCMWWEBZUAEV-UHFFFAOYSA-N
XLogP2.83
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole with MolForge

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Related Compounds

1-(1-ethyl-2-pyrrolidinyl)-N-(3-isoxazolylmethyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45207670
3-[[1-(1,2-Oxazol-3-ylmethyl)-1,4-diazaspiro[5.5]undecan-4-yl]methyl]-1,2-oxazole
CID 75535651
1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl(1,2-oxazol-3-yl)methanone
CID 71861401
(2-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
CID 71930519
N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 81171431
3-[[2-(Fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 130964780
cis-(1S,2R)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 137984946
2-[(2-Methylcyclohexyl)-(1,2-oxazol-3-ylmethyl)amino]ethanesulfonyl fluoride
CID 154879637
2-[1-(Cyclohexylmethyl)-4-(3-isoxazolylmethyl)-2-piperazinyl]ethanol
CID 45228054
3-[[4-(1,2-Oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole
CID 71851954
3-(Pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 91267098
N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole (CID 71869589) is 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole is CC1CC2CCCCC2N1Cc1ccon1.
What is the InChIKey of 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole?
The InChIKey is RIDCMWWEBZUAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-11-4-2-3-5-13(11)15(10)9-12-6-7-16-14-12/h6-7,10-11,13H,2-5,8-9H2,1H3.
What are the key properties of 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole?
3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole has a molecular weight of 220.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 71869589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).