4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide

C21H21Cl2N3O3 — CID 59363948

IUPAC4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide
SMILESCCNC(=O)NC(=O)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1C
InChIInChI=1S/C21H21Cl2N3O3/c1-4-24-20(28)25-19(27)17-6-5-13(7-12(17)2)18-11-21(3,29-26-18)14-8-15(22)10-16(23)9-14/h5-10H,4,11H2,1-3H3,(H2,24,25,27,28)
InChIKeyZFOGMGGNASJLDG-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.80
Rot. Bonds4

About 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide

4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide (PubChem CID 59363948) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide
PubChem CID59363948
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide
SMILESCCNC(=O)NC(=O)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1C
InChIInChI=1S/C21H21Cl2N3O3/c1-4-24-20(28)25-19(27)17-6-5-13(7-12(17)2)18-11-21(3,29-26-18)14-8-15(22)10-16(23)9-14/h5-10H,4,11H2,1-3H3,(H2,24,25,27,28)
InChIKeyZFOGMGGNASJLDG-UHFFFAOYSA-N
XLogP4.80
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
CID 58182787
methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 58338620
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(1-oxothietan-3-yl)benzamide
CID 123345182
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(oxolan-2-yl)benzamide
CID 58182833
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;methane;methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 158222560
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
CID 58182790
[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
CID 59407423
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethoxymethyl)benzamide
CID 25217023
4-[2-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoethyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118052654
N-(3-chloro-1,1,1-trifluoropropan-2-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 169004156
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methylcarbamoyl]benzamide
CID 178068313
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(Z)-ethoxyiminomethyl]-2-methylbenzamide
CID 136625629

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide (CID 59363948) is 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide is CCNC(=O)NC(=O)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1C.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide?
The InChIKey is ZFOGMGGNASJLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-4-24-20(28)25-19(27)17-6-5-13(7-12(17)2)18-11-21(3,29-26-18)14-8-15(22)10-16(23)9-14/h5-10H,4,11H2,1-3H3,(H2,24,25,27,28).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide?
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide has a molecular weight of 434.32 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide is sourced from PubChem (CID 59363948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).