5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

C17H19N7O2 — CID 122289896

IUPAC5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(C3CC3)on2)cc(-n2cccn2)n1
InChIInChI=1S/C17H19N7O2/c1-11-21-15(10-16(22-11)24-8-2-5-20-24)18-6-7-19-17(25)13-9-14(26-23-13)12-3-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,19,25)(H,18,21,22)
InChIKeyVMOJMLJWJUYHAM-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.68
Rot. Bonds7

About 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122289896) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122289896
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(C3CC3)on2)cc(-n2cccn2)n1
InChIInChI=1S/C17H19N7O2/c1-11-21-15(10-16(22-11)24-8-2-5-20-24)18-6-7-19-17(25)13-9-14(26-23-13)12-3-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,19,25)(H,18,21,22)
InChIKeyVMOJMLJWJUYHAM-UHFFFAOYSA-N
XLogP1.68
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122289833
5-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122289913
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
3-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
CID 121072306
5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122289847
5-cyclopropyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122314725
(3S)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122289875
5-cyclopropyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,2-oxazole-3-carboxamide
CID 122300307
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-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (CID 122289896) is 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is Cc1nc(NCCNC(=O)c2cc(C3CC3)on2)cc(-n2cccn2)n1.
What is the InChIKey of 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VMOJMLJWJUYHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-21-15(10-16(22-11)24-8-2-5-20-24)18-6-7-19-17(25)13-9-14(26-23-13)12-3-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,19,25)(H,18,21,22).
What are the key properties of 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122289896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).