N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide

C17H9Cl2N3O2 — CID 84552909

IUPACN-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H9Cl2N3O2/c18-12-6-5-10(7-13(12)19)17-22-15(9-24-17)16(23)21-14-4-2-1-3-11(14)8-20/h1-7,9H,(H,21,23)
InChIKeyUXSJKKOIBBDTIG-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.77
Rot. Bonds3

About N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide

N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84552909) has the molecular formula C17H9Cl2N3O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID84552909
Molecular FormulaC17H9Cl2N3O2
Molecular Weight358.18 g/mol
Exact Mass357.01
IUPAC NameN-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H9Cl2N3O2/c18-12-6-5-10(7-13(12)19)17-22-15(9-24-17)16(23)21-14-4-2-1-3-11(14)8-20/h1-7,9H,(H,21,23)
InChIKeyUXSJKKOIBBDTIG-UHFFFAOYSA-N
XLogP4.77
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809184
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
2-(3,4-dichlorophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552907
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
6-amino-3-chloro-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 62155906
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84553164
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide (CID 84552909) is N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide is N#Cc1ccccc1NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UXSJKKOIBBDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2/c18-12-6-5-10(7-13(12)19)17-22-15(9-24-17)16(23)21-14-4-2-1-3-11(14)8-20/h1-7,9H,(H,21,23).
What are the key properties of N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 358.18 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84552909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).