2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide

C14H15N7O4 — CID 112522829

IUPAC2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
SMILESCN(C)C(=O)Nc1cn(CC(=O)Nc2cccc3[nH]c(=O)oc23)nn1
InChIInChI=1S/C14H15N7O4/c1-20(2)13(23)17-10-6-21(19-18-10)7-11(22)15-8-4-3-5-9-12(8)25-14(24)16-9/h3-6H,7H2,1-2H3,(H,15,22)(H,16,24)(H,17,23)
InChIKeyKWLMLZBBCHLRNT-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.44
Rot. Bonds4

About 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide (PubChem CID 112522829) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
PubChem CID112522829
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
SMILESCN(C)C(=O)Nc1cn(CC(=O)Nc2cccc3[nH]c(=O)oc23)nn1
InChIInChI=1S/C14H15N7O4/c1-20(2)13(23)17-10-6-21(19-18-10)7-11(22)15-8-4-3-5-9-12(8)25-14(24)16-9/h3-6H,7H2,1-2H3,(H,15,22)(H,16,24)(H,17,23)
InChIKeyKWLMLZBBCHLRNT-UHFFFAOYSA-N
XLogP0.44
TPSA138.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 155962162
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
CID 112530623
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 112530841
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525950
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522739
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112522077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide (CID 112522829) is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide is CN(C)C(=O)Nc1cn(CC(=O)Nc2cccc3[nH]c(=O)oc23)nn1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide?
The InChIKey is KWLMLZBBCHLRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4/c1-20(2)13(23)17-10-6-21(19-18-10)7-11(22)15-8-4-3-5-9-12(8)25-14(24)16-9/h3-6H,7H2,1-2H3,(H,15,22)(H,16,24)(H,17,23).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide?
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide has a molecular weight of 345.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide is sourced from PubChem (CID 112522829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).