N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C18H14Cl2N2O4 — CID 26052595

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl
InChIInChI=1S/C18H14Cl2N2O4/c1-24-16-9-17(25-2)13(7-12(16)20)21-18(23)14-8-15(26-22-14)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H,21,23)
InChIKeyQHBWTSZGFMFCJO-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.92
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 26052595) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID26052595
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl
InChIInChI=1S/C18H14Cl2N2O4/c1-24-16-9-17(25-2)13(7-12(16)20)21-18(23)14-8-15(26-22-14)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H,21,23)
InChIKeyQHBWTSZGFMFCJO-UHFFFAOYSA-N
XLogP4.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(5-chloro-2-methoxyphenyl)-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 159062003
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 60859836
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 26052595) is N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is COc1cc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QHBWTSZGFMFCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-24-16-9-17(25-2)13(7-12(16)20)21-18(23)14-8-15(26-22-14)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).