1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide

C18H18Cl2N4O3S — CID 56581989

IUPAC1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide
SMILESCC(C)C(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18Cl2N4O3S/c1-11(2)16(18-22-17(23-27-18)13-4-3-7-21-9-13)24-28(25,26)10-12-5-6-14(19)15(20)8-12/h3-9,11,16,24H,10H2,1-2H3
InChIKeyCLLHTEMMRNSOBM-UHFFFAOYSA-N
MW441.34 g/mol
LogP4.26
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide (PubChem CID 56581989) has the molecular formula C18H18Cl2N4O3S and a molecular weight of 441.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide
PubChem CID56581989
Molecular FormulaC18H18Cl2N4O3S
Molecular Weight441.34 g/mol
Exact Mass440.05
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide
SMILESCC(C)C(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18Cl2N4O3S/c1-11(2)16(18-22-17(23-27-18)13-4-3-7-21-9-13)24-28(25,26)10-12-5-6-14(19)15(20)8-12/h3-9,11,16,24H,10H2,1-2H3
InChIKeyCLLHTEMMRNSOBM-UHFFFAOYSA-N
XLogP4.26
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56510323
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719
2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472611
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
2-methyl-1-[4-(2-methylpropyl)phenyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 78836201
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97239105
1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 126767138

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide (CID 56581989) is 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide is CC(C)C(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide?
The InChIKey is CLLHTEMMRNSOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O3S/c1-11(2)16(18-22-17(23-27-18)13-4-3-7-21-9-13)24-28(25,26)10-12-5-6-14(19)15(20)8-12/h3-9,11,16,24H,10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide has a molecular weight of 441.34 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide is sourced from PubChem (CID 56581989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).