5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide

C16H11Cl2N3O2 — CID 1093842

IUPAC5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C16H11Cl2N3O2/c17-10-4-5-12(13(18)7-10)15-8-14(21-23-15)16(22)20-9-11-3-1-2-6-19-11/h1-8H,9H2,(H,20,22)
InChIKeyUJAVHCVNTZOFSL-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.97
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093842) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID1093842
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C16H11Cl2N3O2/c17-10-4-5-12(13(18)7-10)15-8-14(21-23-15)16(22)20-9-11-3-1-2-6-19-11/h1-8H,9H2,(H,20,22)
InChIKeyUJAVHCVNTZOFSL-UHFFFAOYSA-N
XLogP3.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19330947
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 93143416
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19581349
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30850480
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 1093842) is 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UJAVHCVNTZOFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-10-4-5-12(13(18)7-10)15-8-14(21-23-15)16(22)20-9-11-3-1-2-6-19-11/h1-8H,9H2,(H,20,22).
What are the key properties of 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).