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

C15H13Cl2N3O2S2 — CID 11861264

IUPAC3-(2,6-dichlorophenyl)-N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN1[C@H]2CS[C@@H]1CS2
InChIInChI=1S/C15H13Cl2N3O2S2/c1-7-12(15(21)18-20-10-5-23-11(20)6-24-10)14(19-22-7)13-8(16)3-2-4-9(13)17/h2-4,10-11H,5-6H2,1H3,(H,18,21)/t10-,11-/m1/s1
InChIKeyVIGMCYRXBBWXSX-GHMZBOCLSA-N
MW402.33 g/mol
LogP4.05
Rot. Bonds3

About 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

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 (PubChem CID 11861264) has the molecular formula C15H13Cl2N3O2S2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID11861264
Molecular FormulaC15H13Cl2N3O2S2
Molecular Weight402.33 g/mol
Exact Mass400.98
IUPAC Name3-(2,6-dichlorophenyl)-N-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN1[C@H]2CS[C@@H]1CS2
InChIInChI=1S/C15H13Cl2N3O2S2/c1-7-12(15(21)18-20-10-5-23-11(20)6-24-10)14(19-22-7)13-8(16)3-2-4-9(13)17/h2-4,10-11H,5-6H2,1H3,(H,18,21)/t10-,11-/m1/s1
InChIKeyVIGMCYRXBBWXSX-GHMZBOCLSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-(azepan-1-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2726141
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methylpiperazin-1-yl)-1,2-oxazole-4-carboxamide
CID 2334883
N-(cyclobutylmethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 33383648
3-(2,6-dichlorophenyl)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 39547134
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-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-4-carboxamide
CID 5070431
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 1070167
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]-phenylmethanone
CID 2805168
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN1[C@H]2CS[C@@H]1CS2.
What is the InChIKey of 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?
The InChIKey is VIGMCYRXBBWXSX-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S2/c1-7-12(15(21)18-20-10-5-23-11(20)6-24-10)14(19-22-7)13-8(16)3-2-4-9(13)17/h2-4,10-11H,5-6H2,1H3,(H,18,21)/t10-,11-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 402.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11861264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).