N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C21H19Cl2N3O3 — CID 31713151

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C21H19Cl2N3O3/c1-3-26(12-17(27)24-19-15(22)10-7-11-16(19)23)21(28)18-13(2)29-20(25-18)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,24,27)
InChIKeyDVTMGHNBMWOZFP-UHFFFAOYSA-N
MW432.31 g/mol
LogP5.06
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 31713151) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID31713151
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C21H19Cl2N3O3/c1-3-26(12-17(27)24-19-15(22)10-7-11-16(19)23)21(28)18-13(2)29-20(25-18)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,24,27)
InChIKeyDVTMGHNBMWOZFP-UHFFFAOYSA-N
XLogP5.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.31
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
CID 112802848
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-ethyl-5-methyl-N-naphthalen-1-yl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55614801
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenyl-N-propyl-1,3-oxazole-4-carboxamide
CID 55361317
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912260
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727433
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 31713151) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is DVTMGHNBMWOZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-3-26(12-17(27)24-19-15(22)10-7-11-16(19)23)21(28)18-13(2)29-20(25-18)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 31713151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).