N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H14N6O4 — CID 155911469

IUPACN-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1nc2nc(C)c(NC(=O)Cn3c(=O)oc4ccccc43)c(=O)n2[nH]1
InChIInChI=1S/C16H14N6O4/c1-8-13(14(24)22-15(17-8)18-9(2)20-22)19-12(23)7-21-10-5-3-4-6-11(10)26-16(21)25/h3-6H,7H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyUKQXCDRQNPHWIV-UHFFFAOYSA-N
MW354.33 g/mol
LogP0.58
Rot. Bonds3

About N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 155911469) has the molecular formula C16H14N6O4 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID155911469
Molecular FormulaC16H14N6O4
Molecular Weight354.33 g/mol
Exact Mass354.11
IUPAC NameN-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1nc2nc(C)c(NC(=O)Cn3c(=O)oc4ccccc43)c(=O)n2[nH]1
InChIInChI=1S/C16H14N6O4/c1-8-13(14(24)22-15(17-8)18-9(2)20-22)19-12(23)7-21-10-5-3-4-6-11(10)26-16(21)25/h3-6H,7H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyUKQXCDRQNPHWIV-UHFFFAOYSA-N
XLogP0.58
TPSA127.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122357195
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134019204
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401180
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 71939920

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 155911469) is N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1nc2nc(C)c(NC(=O)Cn3c(=O)oc4ccccc43)c(=O)n2[nH]1.
What is the InChIKey of N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is UKQXCDRQNPHWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4/c1-8-13(14(24)22-15(17-8)18-9(2)20-22)19-12(23)7-21-10-5-3-4-6-11(10)26-16(21)25/h3-6H,7H2,1-2H3,(H,19,23)(H,17,18,20).
What are the key properties of N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 354.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 155911469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).