2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

C17H21N5O3 — CID 91842305

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CN1C(=O)COc2ccc(C)cc21)c1ncnn1C
InChIInChI=1S/C17H21N5O3/c1-4-12(17-18-10-19-21(17)3)20-15(23)8-22-13-7-11(2)5-6-14(13)25-9-16(22)24/h5-7,10,12H,4,8-9H2,1-3H3,(H,20,23)
InChIKeyIGGIERFSQJYTJJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.12
Rot. Bonds5

About 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 91842305) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID91842305
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CN1C(=O)COc2ccc(C)cc21)c1ncnn1C
InChIInChI=1S/C17H21N5O3/c1-4-12(17-18-10-19-21(17)3)20-15(23)8-22-13-7-11(2)5-6-14(13)25-9-16(22)24/h5-7,10,12H,4,8-9H2,1-3H3,(H,20,23)
InChIKeyIGGIERFSQJYTJJ-UHFFFAOYSA-N
XLogP1.12
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 91842305) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is CCC(NC(=O)CN1C(=O)COc2ccc(C)cc21)c1ncnn1C.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is IGGIERFSQJYTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-12(17-18-10-19-21(17)3)20-15(23)8-22-13-7-11(2)5-6-14(13)25-9-16(22)24/h5-7,10,12H,4,8-9H2,1-3H3,(H,20,23).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 91842305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).