N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

C15H16N6O4 — CID 112523020

IUPACN-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)n2c(=O)oc3cc(N)ccc32)nn1
InChIInChI=1S/C15H16N6O4/c1-8(2)14(23)17-12-6-20(19-18-12)7-13(22)21-10-4-3-9(16)5-11(10)25-15(21)24/h3-6,8H,7,16H2,1-2H3,(H,17,23)
InChIKeyDTCSFLIOBWVGPJ-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.70
Rot. Bonds4

About N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (PubChem CID 112523020) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
PubChem CID112523020
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC NameN-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)n2c(=O)oc3cc(N)ccc32)nn1
InChIInChI=1S/C15H16N6O4/c1-8(2)14(23)17-12-6-20(19-18-12)7-13(22)21-10-4-3-9(16)5-11(10)25-15(21)24/h3-6,8H,7,16H2,1-2H3,(H,17,23)
InChIKeyDTCSFLIOBWVGPJ-UHFFFAOYSA-N
XLogP0.70
TPSA138.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112523008
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400
6-amino-3-[2-methyl-3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 110838408
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531418
6-amino-3-[2-(2-fluorophenyl)acetyl]-1,3-benzoxazol-2-one
CID 110662109
N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522834
ethyl N-[1-[2-(6-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523760
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
N-[1-[2-[3-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112532028

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (CID 112523020) is N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cn(CC(=O)n2c(=O)oc3cc(N)ccc32)nn1.
What is the InChIKey of N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The InChIKey is DTCSFLIOBWVGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-8(2)14(23)17-12-6-20(19-18-12)7-13(22)21-10-4-3-9(16)5-11(10)25-15(21)24/h3-6,8H,7,16H2,1-2H3,(H,17,23).
What are the key properties of N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide has a molecular weight of 344.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 112523020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).