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

C18H20Cl2N4O3 — CID 146674415

IUPAC3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILES[H]/N=C(/NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)N1CC(C)OC(C)C1
InChIInChI=1S/C18H20Cl2N4O3/c1-9-7-24(8-10(2)26-9)18(21)22-17(25)14-11(3)27-23-16(14)15-12(19)5-4-6-13(15)20/h4-6,9-10H,7-8H2,1-3H3,(H2,21,22,25)
InChIKeyNSVYTCSEUPIKSB-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.73
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 146674415) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID146674415
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC Name3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILES[H]/N=C(/NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)N1CC(C)OC(C)C1
InChIInChI=1S/C18H20Cl2N4O3/c1-9-7-24(8-10(2)26-9)18(21)22-17(25)14-11(3)27-23-16(14)15-12(19)5-4-6-13(15)20/h4-6,9-10H,7-8H2,1-3H3,(H2,21,22,25)
InChIKeyNSVYTCSEUPIKSB-UHFFFAOYSA-N
XLogP3.73
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7395477
(3S,4S)-1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952734
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
N-(azepan-1-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2726141
3-(2,6-dichlorophenyl)-N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 11861264
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561124
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
CID 2886297
1-tert-butyl-3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]urea
CID 2798113
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 120660254

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 146674415) is 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide is [H]/N=C(/NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NSVYTCSEUPIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3/c1-9-7-24(8-10(2)26-9)18(21)22-17(25)14-11(3)27-23-16(14)15-12(19)5-4-6-13(15)20/h4-6,9-10H,7-8H2,1-3H3,(H2,21,22,25).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2,6-dimethylmorpholine-4-carboximidoyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 146674415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).