(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone

C13H18N2O2 — CID 71930519

IUPAC(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)c1ccon1
InChIInChI=1S/C13H18N2O2/c1-9-8-10-4-2-3-5-12(10)15(9)13(16)11-6-7-17-14-11/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyZCAVDMUAONDKEQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds1

About (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone

(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone (PubChem CID 71930519) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
PubChem CID71930519
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)c1ccon1
InChIInChI=1S/C13H18N2O2/c1-9-8-10-4-2-3-5-12(10)15(9)13(16)11-6-7-17-14-11/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyZCAVDMUAONDKEQ-UHFFFAOYSA-N
XLogP2.47
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone (CID 71930519) is (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone is CC1CC2CCCCC2N1C(=O)c1ccon1.
What is the InChIKey of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is ZCAVDMUAONDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-10-4-2-3-5-12(10)15(9)13(16)11-6-7-17-14-11/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone?
(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71930519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).