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

C17H17Cl2N3O3 — CID 34374149

IUPAC5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H17Cl2N3O3/c1-2-22(17(24)13-8-14(25-21-13)10-6-7-10)9-15(23)20-16-11(18)4-3-5-12(16)19/h3-5,8,10H,2,6-7,9H2,1H3,(H,20,23)
InChIKeyRRLYCXNJLLFRNO-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.96
Rot. Bonds6

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

5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 34374149) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID34374149
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H17Cl2N3O3/c1-2-22(17(24)13-8-14(25-21-13)10-6-7-10)9-15(23)20-16-11(18)4-3-5-12(16)19/h3-5,8,10H,2,6-7,9H2,1H3,(H,20,23)
InChIKeyRRLYCXNJLLFRNO-UHFFFAOYSA-N
XLogP3.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide
CID 52639892
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 115771332
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912260
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 31713151

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 34374149) is 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is RRLYCXNJLLFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-2-22(17(24)13-8-14(25-21-13)10-6-7-10)9-15(23)20-16-11(18)4-3-5-12(16)19/h3-5,8,10H,2,6-7,9H2,1H3,(H,20,23).
What are the key properties of 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 34374149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).