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

C15H22N2O2 — CID 71861398

IUPAC1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CC2CCCCC2C1
InChIInChI=1S/C15H22N2O2/c1-10(2)14-13(16-9-19-14)15(18)17-7-11-5-3-4-6-12(11)8-17/h9-12H,3-8H2,1-2H3
InChIKeyWHOCKVQCSMZSMN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.06
Rot. Bonds2

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

1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 71861398) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID71861398
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CC2CCCCC2C1
InChIInChI=1S/C15H22N2O2/c1-10(2)14-13(16-9-19-14)15(18)17-7-11-5-3-4-6-12(11)8-17/h9-12H,3-8H2,1-2H3
InChIKeyWHOCKVQCSMZSMN-UHFFFAOYSA-N
XLogP3.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 71861398) is 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1CC2CCCCC2C1.
What is the InChIKey of 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is WHOCKVQCSMZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)14-13(16-9-19-14)15(18)17-7-11-5-3-4-6-12(11)8-17/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 71861398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).