3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide

C17H13Cl2N5O4 — CID 2804694

IUPAC3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H13Cl2N5O4/c1-9-14(16(22-28-9)15-11(18)4-3-5-12(15)19)17(25)21-23(2)13-7-6-10(8-20-13)24(26)27/h3-8H,1-2H3,(H,21,25)
InChIKeyKZUSCPDXVVAGON-UHFFFAOYSA-N
MW422.23 g/mol
LogP4.04
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide

3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide (PubChem CID 2804694) has the molecular formula C17H13Cl2N5O4 and a molecular weight of 422.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide
PubChem CID2804694
Molecular FormulaC17H13Cl2N5O4
Molecular Weight422.23 g/mol
Exact Mass421.03
IUPAC Name3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H13Cl2N5O4/c1-9-14(16(22-28-9)15-11(18)4-3-5-12(15)19)17(25)21-23(2)13-7-6-10(8-20-13)24(26)27/h3-8H,1-2H3,(H,21,25)
InChIKeyKZUSCPDXVVAGON-UHFFFAOYSA-N
XLogP4.04
TPSA114.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide with MolForge

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Related Compounds

2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide
CID 2742940
1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-[methyl-(5-nitro-2-pyridinyl)amino]urea
CID 20849710
N-[[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]carbamoyl]-4-nitrobenzamide
CID 4617530
3-(2,6-dichlorophenyl)-5-methyl-N'-(2-nitrobenzenecarbothioyl)-1,2-oxazole-4-carbohydrazide
CID 10138847
3-(2,6-dichlorophenyl)-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
[(Z)-[(2,6-dichlorophenyl)-nitromethylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 6368908
3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 86836013
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
N-(azepan-1-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2726141

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide (CID 2804694) is 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN(C)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide?
The InChIKey is KZUSCPDXVVAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O4/c1-9-14(16(22-28-9)15-11(18)4-3-5-12(15)19)17(25)21-23(2)13-7-6-10(8-20-13)24(26)27/h3-8H,1-2H3,(H,21,25).
What are the key properties of 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide?
3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide has a molecular weight of 422.23 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2804694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).