8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one

C19H24N4O2 — CID 136588584

IUPAC8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one
SMILESCc1cc(=O)c(-c2noc([C@@]34CCCC[C@@H]3NCC4)n2)c2n1CCC2
InChIInChI=1S/C19H24N4O2/c1-12-11-14(24)16(13-5-4-10-23(12)13)17-21-18(25-22-17)19-7-3-2-6-15(19)20-9-8-19/h11,15,20H,2-10H2,1H3/t15-,19+/m0/s1
InChIKeySFCYTHNUGIUQCZ-HNAYVOBHSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds2

About 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one

8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one (PubChem CID 136588584) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one.

Molecular Properties

Compound Name8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one
PubChem CID136588584
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one
SMILESCc1cc(=O)c(-c2noc([C@@]34CCCC[C@@H]3NCC4)n2)c2n1CCC2
InChIInChI=1S/C19H24N4O2/c1-12-11-14(24)16(13-5-4-10-23(12)13)17-21-18(25-22-17)19-7-3-2-6-15(19)20-9-8-19/h11,15,20H,2-10H2,1H3/t15-,19+/m0/s1
InChIKeySFCYTHNUGIUQCZ-HNAYVOBHSA-N
XLogP2.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one?
The IUPAC name of 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one (CID 136588584) is 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one.
What is the SMILES notation for 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one?
The canonical SMILES for 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one is Cc1cc(=O)c(-c2noc([C@@]34CCCC[C@@H]3NCC4)n2)c2n1CCC2.
What is the InChIKey of 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one?
The InChIKey is SFCYTHNUGIUQCZ-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-11-14(24)16(13-5-4-10-23(12)13)17-21-18(25-22-17)19-7-3-2-6-15(19)20-9-8-19/h11,15,20H,2-10H2,1H3/t15-,19+/m0/s1.
What are the key properties of 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one?
8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one has a molecular weight of 340.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-indolizin-7-one is sourced from PubChem (CID 136588584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).