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

C16H24N2O2 — CID 71999412

IUPAC(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1C(C)CC2CCCCC21
InChIInChI=1S/C16H24N2O2/c1-10(2)15-14(17-9-20-15)16(19)18-11(3)8-12-6-4-5-7-13(12)18/h9-13H,4-8H2,1-3H3
InChIKeyOPOSAVOLQDAOBA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.59
Rot. Bonds2

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

(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 71999412) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID71999412
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1C(C)CC2CCCCC21
InChIInChI=1S/C16H24N2O2/c1-10(2)15-14(17-9-20-15)16(19)18-11(3)8-12-6-4-5-7-13(12)18/h9-13H,4-8H2,1-3H3
InChIKeyOPOSAVOLQDAOBA-UHFFFAOYSA-N
XLogP3.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.59
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)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 71999412) is (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1C(C)CC2CCCCC21.
What is the InChIKey of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is OPOSAVOLQDAOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)15-14(17-9-20-15)16(19)18-11(3)8-12-6-4-5-7-13(12)18/h9-13H,4-8H2,1-3H3.
What are the key properties of (2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.59, 2 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)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 71999412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).