2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide

C16H17N5O4 — CID 91818477

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C16H17N5O4/c1-9-12(10(2)25-20-9)8-13(22)17-6-7-21-15(23)11-4-3-5-18-14(11)19-16(21)24/h3-5H,6-8H2,1-2H3,(H,17,22)(H,18,19,24)
InChIKeyMNGJFKOTZIAKJP-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.05
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide (PubChem CID 91818477) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
PubChem CID91818477
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C16H17N5O4/c1-9-12(10(2)25-20-9)8-13(22)17-6-7-21-15(23)11-4-3-5-18-14(11)19-16(21)24/h3-5H,6-8H2,1-2H3,(H,17,22)(H,18,19,24)
InChIKeyMNGJFKOTZIAKJP-UHFFFAOYSA-N
XLogP0.05
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide
CID 91818482
2-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818484
methyl 4-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoyl]benzoate
CID 91818452
ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate
CID 121180730
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 91818481
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119102270
1-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496257
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 47041902

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide (CID 91818477) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide is Cc1noc(C)c1CC(=O)NCCn1c(=O)[nH]c2ncccc2c1=O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide?
The InChIKey is MNGJFKOTZIAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-9-12(10(2)25-20-9)8-13(22)17-6-7-21-15(23)11-4-3-5-18-14(11)19-16(21)24/h3-5H,6-8H2,1-2H3,(H,17,22)(H,18,19,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide has a molecular weight of 343.34 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 91818477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).