N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C14H15F2N3O2S — CID 51082840

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2ccc(SC(F)F)cc2)n1
InChIInChI=1S/C14H15F2N3O2S/c1-9-17-13(21-19-9)4-2-3-12(20)18-10-5-7-11(8-6-10)22-14(15)16/h5-8,14H,2-4H2,1H3,(H,18,20)
InChIKeyCMGHOVACYDCVGI-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.65
Rot. Bonds7

About N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 51082840) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID51082840
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2ccc(SC(F)F)cc2)n1
InChIInChI=1S/C14H15F2N3O2S/c1-9-17-13(21-19-9)4-2-3-12(20)18-10-5-7-11(8-6-10)22-14(15)16/h5-8,14H,2-4H2,1H3,(H,18,20)
InChIKeyCMGHOVACYDCVGI-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
N-(4-bromo-3-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180626
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
CID 38739993
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 154738324

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 51082840) is N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)Nc2ccc(SC(F)F)cc2)n1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is CMGHOVACYDCVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-9-17-13(21-19-9)4-2-3-12(20)18-10-5-7-11(8-6-10)22-14(15)16/h5-8,14H,2-4H2,1H3,(H,18,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 327.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 51082840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).