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

C16H10Cl3N3O2 — CID 1363764

IUPACN-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H10Cl3N3O2/c1-8-13(16(23)21-12-6-5-9(17)7-20-12)15(22-24-8)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,20,21,23)
InChIKeyAKZUZVJAAAONKG-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.26
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1363764) has the molecular formula C16H10Cl3N3O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1363764
Molecular FormulaC16H10Cl3N3O2
Molecular Weight382.63 g/mol
Exact Mass380.98
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H10Cl3N3O2/c1-8-13(16(23)21-12-6-5-9(17)7-20-12)15(22-24-8)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,20,21,23)
InChIKeyAKZUZVJAAAONKG-UHFFFAOYSA-N
XLogP5.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1363764) is N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AKZUZVJAAAONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3O2/c1-8-13(16(23)21-12-6-5-9(17)7-20-12)15(22-24-8)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,20,21,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 382.63 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).