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

C17H13Cl2N3O3 — CID 2747401

IUPAC3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1
InChIInChI=1S/C17H13Cl2N3O3/c1-9-14(17(23)21-10-6-7-13(24-2)20-8-10)16(22-25-9)15-11(18)4-3-5-12(15)19/h3-8H,1-2H3,(H,21,23)
InChIKeySWMNJRMVQMKVAO-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.61
Rot. Bonds4

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

3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2747401) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2747401
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1
InChIInChI=1S/C17H13Cl2N3O3/c1-9-14(17(23)21-10-6-7-13(24-2)20-8-10)16(22-25-9)15-11(18)4-3-5-12(15)19/h3-8H,1-2H3,(H,21,23)
InChIKeySWMNJRMVQMKVAO-UHFFFAOYSA-N
XLogP4.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2747401) is 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SWMNJRMVQMKVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-9-14(17(23)21-10-6-7-13(24-2)20-8-10)16(22-25-9)15-11(18)4-3-5-12(15)19/h3-8H,1-2H3,(H,21,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2747401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).