4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one

C25H24N4O3 — CID 20893881

IUPAC4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCCc1nn(Cc2nc(-c3ccc(OC)cc3)oc2C)c(=O)c2cc3cc(C)ccc3n12
InChIInChI=1S/C25H24N4O3/c1-5-23-27-28(25(30)22-13-18-12-15(2)6-11-21(18)29(22)23)14-20-16(3)32-24(26-20)17-7-9-19(31-4)10-8-17/h6-13H,5,14H2,1-4H3
InChIKeyPSCZNXAOKMWQBJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.54
Rot. Bonds5

About 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one

4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one (PubChem CID 20893881) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one
PubChem CID20893881
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one
SMILESCCc1nn(Cc2nc(-c3ccc(OC)cc3)oc2C)c(=O)c2cc3cc(C)ccc3n12
InChIInChI=1S/C25H24N4O3/c1-5-23-27-28(25(30)22-13-18-12-15(2)6-11-21(18)29(22)23)14-20-16(3)32-24(26-20)17-7-9-19(31-4)10-8-17/h6-13H,5,14H2,1-4H3
InChIKeyPSCZNXAOKMWQBJ-UHFFFAOYSA-N
XLogP4.54
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one?
The IUPAC name of 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one (CID 20893881) is 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one.
What is the SMILES notation for 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one?
The canonical SMILES for 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one is CCc1nn(Cc2nc(-c3ccc(OC)cc3)oc2C)c(=O)c2cc3cc(C)ccc3n12.
What is the InChIKey of 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one?
The InChIKey is PSCZNXAOKMWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-5-23-27-28(25(30)22-13-18-12-15(2)6-11-21(18)29(22)23)14-20-16(3)32-24(26-20)17-7-9-19(31-4)10-8-17/h6-13H,5,14H2,1-4H3.
What are the key properties of 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one?
4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one has a molecular weight of 428.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-8-methyl-[1,2,4]triazino[4,5-a]indol-1-one is sourced from PubChem (CID 20893881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).