5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

C15H17N7O2 — CID 122289913

IUPAC5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2cnoc2C)cc(-n2cccn2)n1
InChIInChI=1S/C15H17N7O2/c1-10-12(9-19-24-10)15(23)17-6-5-16-13-8-14(21-11(2)20-13)22-7-3-4-18-22/h3-4,7-9H,5-6H2,1-2H3,(H,17,23)(H,16,20,21)
InChIKeyCSEQWOSDEBISEA-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.11
Rot. Bonds6

About 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 122289913) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID122289913
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2cnoc2C)cc(-n2cccn2)n1
InChIInChI=1S/C15H17N7O2/c1-10-12(9-19-24-10)15(23)17-6-5-16-13-8-14(21-11(2)20-13)22-7-3-4-18-22/h3-4,7-9H,5-6H2,1-2H3,(H,17,23)(H,16,20,21)
InChIKeyCSEQWOSDEBISEA-UHFFFAOYSA-N
XLogP1.11
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122308636
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122289833
2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699359
2,5-dichloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-3-carboxamide
CID 122289978
5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122289847
5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289896
3-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
CID 121072306
(E)-3-(2-methylphenyl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]prop-2-enamide
CID 122289974
2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122289854
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxypropanamide
CID 121072324
1-(4-ethylphenyl)-3-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 121072666

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide (CID 122289913) is 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is Cc1nc(NCCNC(=O)c2cnoc2C)cc(-n2cccn2)n1.
What is the InChIKey of 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CSEQWOSDEBISEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-10-12(9-19-24-10)15(23)17-6-5-16-13-8-14(21-11(2)20-13)22-7-3-4-18-22/h3-4,7-9H,5-6H2,1-2H3,(H,17,23)(H,16,20,21).
What are the key properties of 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122289913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).