4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide

C17H19N7O3 — CID 166333207

IUPAC4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(CNC(=O)Cc2nc3ncccn3n2)C1
InChIInChI=1S/C17H19N7O3/c1-10-15(27-9-20-10)16(26)21-12-5-11(6-12)8-19-14(25)7-13-22-17-18-3-2-4-24(17)23-13/h2-4,9,11-12H,5-8H2,1H3,(H,19,25)(H,21,26)
InChIKeyXIUFMXGENLVKJX-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.29
Rot. Bonds6

About 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide (PubChem CID 166333207) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide
PubChem CID166333207
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CC(CNC(=O)Cc2nc3ncccn3n2)C1
InChIInChI=1S/C17H19N7O3/c1-10-15(27-9-20-10)16(26)21-12-5-11(6-12)8-19-14(25)7-13-22-17-18-3-2-4-24(17)23-13/h2-4,9,11-12H,5-8H2,1H3,(H,19,25)(H,21,26)
InChIKeyXIUFMXGENLVKJX-UHFFFAOYSA-N
XLogP0.29
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 136515714
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94671546
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
N-[5-methyl-1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 167811288
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122329
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 47064150
N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94649440
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide (CID 166333207) is 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CC(CNC(=O)Cc2nc3ncccn3n2)C1.
What is the InChIKey of 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide?
The InChIKey is XIUFMXGENLVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-10-15(27-9-20-10)16(26)21-12-5-11(6-12)8-19-14(25)7-13-22-17-18-3-2-4-24(17)23-13/h2-4,9,11-12H,5-8H2,1H3,(H,19,25)(H,21,26).
What are the key properties of 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]cyclobutyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166333207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).