N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide

C19H17ClN6O2 — CID 46915959

IUPACN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide
SMILESCC(C)CN(NC(=O)c1cc(-c2ccccc2)no1)c1nc(C#N)ncc1Cl
InChIInChI=1S/C19H17ClN6O2/c1-12(2)11-26(18-14(20)10-22-17(9-21)23-18)24-19(27)16-8-15(25-28-16)13-6-4-3-5-7-13/h3-8,10,12H,11H2,1-2H3,(H,24,27)
InChIKeyZLCAQZUEJGWIJB-UHFFFAOYSA-N
MW396.84 g/mol
LogP3.46
Rot. Bonds6

About N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide

N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide (PubChem CID 46915959) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide
PubChem CID46915959
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide
SMILESCC(C)CN(NC(=O)c1cc(-c2ccccc2)no1)c1nc(C#N)ncc1Cl
InChIInChI=1S/C19H17ClN6O2/c1-12(2)11-26(18-14(20)10-22-17(9-21)23-18)24-19(27)16-8-15(25-28-16)13-6-4-3-5-7-13/h3-8,10,12H,11H2,1-2H3,(H,24,27)
InChIKeyZLCAQZUEJGWIJB-UHFFFAOYSA-N
XLogP3.46
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide (CID 46915959) is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide is CC(C)CN(NC(=O)c1cc(-c2ccccc2)no1)c1nc(C#N)ncc1Cl.
What is the InChIKey of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide?
The InChIKey is ZLCAQZUEJGWIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-12(2)11-26(18-14(20)10-22-17(9-21)23-18)24-19(27)16-8-15(25-28-16)13-6-4-3-5-7-13/h3-8,10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide?
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide has a molecular weight of 396.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-3-phenyl-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 46915959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).