N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide

C18H13Cl3N2O3 — CID 84552905

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H13Cl3N2O3/c1-9-5-14(16(25-2)7-12(9)20)22-17(24)15-8-26-18(23-15)10-3-4-11(19)13(21)6-10/h3-8H,1-2H3,(H,22,24)
InChIKeyJYKSJQPUXIJUSQ-UHFFFAOYSA-N
MW411.67 g/mol
LogP5.87
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84552905) has the molecular formula C18H13Cl3N2O3 and a molecular weight of 411.67 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID84552905
Molecular FormulaC18H13Cl3N2O3
Molecular Weight411.67 g/mol
Exact Mass410.00
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H13Cl3N2O3/c1-9-5-14(16(25-2)7-12(9)20)22-17(24)15-8-26-18(23-15)10-3-4-11(19)13(21)6-10/h3-8H,1-2H3,(H,22,24)
InChIKeyJYKSJQPUXIJUSQ-UHFFFAOYSA-N
XLogP5.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
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
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
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
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828951
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide (CID 84552905) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JYKSJQPUXIJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3/c1-9-5-14(16(25-2)7-12(9)20)22-17(24)15-8-26-18(23-15)10-3-4-11(19)13(21)6-10/h3-8H,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 411.67 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84552905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).