5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one

C16H16N4O3 — CID 136570224

IUPAC5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one
SMILESCc1cc(Cc2nc(-c3c4n(c(C)cc3=O)CCC4)no2)no1
InChIInChI=1S/C16H16N4O3/c1-9-6-13(21)15(12-4-3-5-20(9)12)16-17-14(23-19-16)8-11-7-10(2)22-18-11/h6-7H,3-5,8H2,1-2H3
InChIKeyMAVVWGOHCJOKJX-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.04
Rot. Bonds3

About 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one

5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one (PubChem CID 136570224) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one.

Molecular Properties

Compound Name5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one
PubChem CID136570224
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one
SMILESCc1cc(Cc2nc(-c3c4n(c(C)cc3=O)CCC4)no2)no1
InChIInChI=1S/C16H16N4O3/c1-9-6-13(21)15(12-4-3-5-20(9)12)16-17-14(23-19-16)8-11-7-10(2)22-18-11/h6-7H,3-5,8H2,1-2H3
InChIKeyMAVVWGOHCJOKJX-UHFFFAOYSA-N
XLogP2.04
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one?
The IUPAC name of 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one (CID 136570224) is 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one.
What is the SMILES notation for 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one?
The canonical SMILES for 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one is Cc1cc(Cc2nc(-c3c4n(c(C)cc3=O)CCC4)no2)no1.
What is the InChIKey of 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one?
The InChIKey is MAVVWGOHCJOKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9-6-13(21)15(12-4-3-5-20(9)12)16-17-14(23-19-16)8-11-7-10(2)22-18-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one?
5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one has a molecular weight of 312.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indolizin-7-one is sourced from PubChem (CID 136570224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).