N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H11Cl2N5O2 — CID 2962216

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C15H11Cl2N5O2/c1-22-14(9(6-18)7-19-22)20-15(23)13-5-12(21-24-13)8-2-3-10(16)11(17)4-8/h2-4,7,13H,5H2,1H3,(H,20,23)
InChIKeyBEGVJTKTZZFZEU-UHFFFAOYSA-N
MW364.19 g/mol
LogP2.73
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962216) has the molecular formula C15H11Cl2N5O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962216
Molecular FormulaC15H11Cl2N5O2
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C15H11Cl2N5O2/c1-22-14(9(6-18)7-19-22)20-15(23)13-5-12(21-24-13)8-2-3-10(16)11(17)4-8/h2-4,7,13H,5H2,1H3,(H,20,23)
InChIKeyBEGVJTKTZZFZEU-UHFFFAOYSA-N
XLogP2.73
TPSA92.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962216) is N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1ncc(C#N)c1NC(=O)C1CC(c2ccc(Cl)c(Cl)c2)=NO1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BEGVJTKTZZFZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2/c1-22-14(9(6-18)7-19-22)20-15(23)13-5-12(21-24-13)8-2-3-10(16)11(17)4-8/h2-4,7,13H,5H2,1H3,(H,20,23).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).