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

C20H18Cl2N2O4 — CID 84552982

IUPAC2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)cc1OCC
InChIInChI=1S/C20H18Cl2N2O4/c1-3-26-17-8-6-13(10-18(17)27-4-2)23-19(25)16-11-28-20(24-16)12-5-7-14(21)15(22)9-12/h5-11H,3-4H2,1-2H3,(H,23,25)
InChIKeySGVRKHRBEZICLY-UHFFFAOYSA-N
MW421.28 g/mol
LogP5.70
Rot. Bonds7

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

2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84552982) has the molecular formula C20H18Cl2N2O4 and a molecular weight of 421.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID84552982
Molecular FormulaC20H18Cl2N2O4
Molecular Weight421.28 g/mol
Exact Mass420.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)cc1OCC
InChIInChI=1S/C20H18Cl2N2O4/c1-3-26-17-8-6-13(10-18(17)27-4-2)23-19(25)16-11-28-20(24-16)12-5-7-14(21)15(22)9-12/h5-11H,3-4H2,1-2H3,(H,23,25)
InChIKeySGVRKHRBEZICLY-UHFFFAOYSA-N
XLogP5.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.28
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84553164
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide (CID 84552982) is 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide is CCOc1ccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)cc1OCC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SGVRKHRBEZICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4/c1-3-26-17-8-6-13(10-18(17)27-4-2)23-19(25)16-11-28-20(24-16)12-5-7-14(21)15(22)9-12/h5-11H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 421.28 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84552982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).