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

C18H14Cl2N2O2 — CID 84552788

IUPAC2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-3-4-11(2)15(7-10)21-17(23)16-9-24-18(22-16)12-5-6-13(19)14(20)8-12/h3-9H,1-2H3,(H,21,23)
InChIKeyOOTLWOYRJXTIHO-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.52
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84552788) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID84552788
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-3-4-11(2)15(7-10)21-17(23)16-9-24-18(22-16)12-5-6-13(19)14(20)8-12/h3-9H,1-2H3,(H,21,23)
InChIKeyOOTLWOYRJXTIHO-UHFFFAOYSA-N
XLogP5.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552907
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
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
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552909
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 84557151
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
2-(3,4-dichlorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 84560946

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide (CID 84552788) is 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OOTLWOYRJXTIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-3-4-11(2)15(7-10)21-17(23)16-9-24-18(22-16)12-5-6-13(19)14(20)8-12/h3-9H,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84552788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).