2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C24H26N4O3 — CID 91890156

IUPAC2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C24H26N4O3/c1-15(2)30-18-10-8-17(9-11-18)23-25-21(16(3)31-23)14-27-12-13-28-22(24(27)29)19-6-4-5-7-20(19)26-28/h8-13,15H,4-7,14H2,1-3H3
InChIKeyRMAMBCIFNDALPA-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.17
Rot. Bonds5

About 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91890156) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91890156
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C24H26N4O3/c1-15(2)30-18-10-8-17(9-11-18)23-25-21(16(3)31-23)14-27-12-13-28-22(24(27)29)19-6-4-5-7-20(19)26-28/h8-13,15H,4-7,14H2,1-3H3
InChIKeyRMAMBCIFNDALPA-UHFFFAOYSA-N
XLogP4.17
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91890156) is 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is RMAMBCIFNDALPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15(2)30-18-10-8-17(9-11-18)23-25-21(16(3)31-23)14-27-12-13-28-22(24(27)29)19-6-4-5-7-20(19)26-28/h8-13,15H,4-7,14H2,1-3H3.
What are the key properties of 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 418.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91890156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).