3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide

C16H10Cl2N4O4 — CID 2933406

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C16H10Cl2N4O4/c1-8-13(15(21-26-8)14-10(17)3-2-4-11(14)18)16(23)20-12-6-5-9(7-19-12)22(24)25/h2-7H,1H3,(H,19,20,23)
InChIKeyJKWWPZWEELKPEG-UHFFFAOYSA-N
MW393.19 g/mol
LogP4.51
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide (PubChem CID 2933406) has the molecular formula C16H10Cl2N4O4 and a molecular weight of 393.19 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
PubChem CID2933406
Molecular FormulaC16H10Cl2N4O4
Molecular Weight393.19 g/mol
Exact Mass392.01
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C16H10Cl2N4O4/c1-8-13(15(21-26-8)14-10(17)3-2-4-11(14)18)16(23)20-12-6-5-9(7-19-12)22(24)25/h2-7H,1H3,(H,19,20,23)
InChIKeyJKWWPZWEELKPEG-UHFFFAOYSA-N
XLogP4.51
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide (CID 2933406) is 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JKWWPZWEELKPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O4/c1-8-13(15(21-26-8)14-10(17)3-2-4-11(14)18)16(23)20-12-6-5-9(7-19-12)22(24)25/h2-7H,1H3,(H,19,20,23).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide has a molecular weight of 393.19 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2933406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).