3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide

C17H20Cl2N2O2 — CID 3360708

IUPAC3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C17H20Cl2N2O2/c1-3-4-5-6-10-20-17(22)14-11(2)23-21-16(14)15-12(18)8-7-9-13(15)19/h7-9H,3-6,10H2,1-2H3,(H,20,22)
InChIKeyYHKRFKXOYZUVEL-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.27
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3360708) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3360708
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C17H20Cl2N2O2/c1-3-4-5-6-10-20-17(22)14-11(2)23-21-16(14)15-12(18)8-7-9-13(15)19/h7-9H,3-6,10H2,1-2H3,(H,20,22)
InChIKeyYHKRFKXOYZUVEL-UHFFFAOYSA-N
XLogP5.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-pentylthiourea
CID 9187610
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 4618388
7-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 70157795
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2,6-dichlorophenyl)-5-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 119391714
3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4227262
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37392691
tert-butyl N-(6-aminohexyl)carbamate;tert-butyl N-[6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]hexyl]carbamate;hydrochloride
CID 70210611

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide (CID 3360708) is 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide is CCCCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YHKRFKXOYZUVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-3-4-5-6-10-20-17(22)14-11(2)23-21-16(14)15-12(18)8-7-9-13(15)19/h7-9H,3-6,10H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).