N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C16H17N5O3 — CID 91917252

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)no1
InChIInChI=1S/C16H17N5O3/c1-10-8-13(19-24-10)17-14(22)9-20-6-7-21-15(16(20)23)11-4-2-3-5-12(11)18-21/h6-8H,2-5,9H2,1H3,(H,17,19,22)
InChIKeyPOIZICTXWJCVLC-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.31
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91917252) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91917252
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)no1
InChIInChI=1S/C16H17N5O3/c1-10-8-13(19-24-10)17-14(22)9-20-6-7-21-15(16(20)23)11-4-2-3-5-12(11)18-21/h6-8H,2-5,9H2,1H3,(H,17,19,22)
InChIKeyPOIZICTXWJCVLC-UHFFFAOYSA-N
XLogP1.31
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91917252) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is POIZICTXWJCVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-8-13(19-24-10)17-14(22)9-20-6-7-21-15(16(20)23)11-4-2-3-5-12(11)18-21/h6-8H,2-5,9H2,1H3,(H,17,19,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91917252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).