N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide

C18H10Cl4N4O2S — CID 5092510

IUPACN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)n1ccc(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C18H10Cl4N4O2S/c1-8-15(16(25-28-8)14-10(19)3-2-4-11(14)20)23-18(27)26-6-5-12(24-26)9-7-13(21)29-17(9)22/h2-7H,1H3,(H,23,27)
InChIKeySYKUENZVLYXIOV-UHFFFAOYSA-N
MW488.18 g/mol
LogP7.27
Rot. Bonds3

About N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide

N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide (PubChem CID 5092510) has the molecular formula C18H10Cl4N4O2S and a molecular weight of 488.18 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide
PubChem CID5092510
Molecular FormulaC18H10Cl4N4O2S
Molecular Weight488.18 g/mol
Exact Mass485.93
IUPAC NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)n1ccc(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C18H10Cl4N4O2S/c1-8-15(16(25-28-8)14-10(19)3-2-4-11(14)20)23-18(27)26-6-5-12(24-26)9-7-13(21)29-17(9)22/h2-7H,1H3,(H,23,27)
InChIKeySYKUENZVLYXIOV-UHFFFAOYSA-N
XLogP7.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.18
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,1-dimethylurea
CID 2743036
1-(2-chloro-6-fluoroanilino)-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 2743061
1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea
CID 2743041
(3-methylimidazol-4-yl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204532
N-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamoyl]adamantane-1-carboxamide
CID 2805264
N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide
CID 6929067
3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide
CID 11963244
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-(4-methylphenyl)-1-[(R)-methylsulfinyl]urea
CID 40781130
1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-[(5-nitrothiophen-2-yl)methylideneamino]urea
CID 2743056
[(2,3,4,5,6-pentamethylphenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2804481
(benzylideneamino) N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2726320
[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2805244

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide?
The IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide (CID 5092510) is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)n1ccc(-c2cc(Cl)sc2Cl)n1.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide?
The InChIKey is SYKUENZVLYXIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4N4O2S/c1-8-15(16(25-28-8)14-10(19)3-2-4-11(14)20)23-18(27)26-6-5-12(24-26)9-7-13(21)29-17(9)22/h2-7H,1H3,(H,23,27).
What are the key properties of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide?
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide has a molecular weight of 488.18 g/mol, XLogP of 7.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 5092510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).