N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide

C19H18F2N4O3S — CID 145238623

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide
SMILESO=S(C1CCOC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1
InChIInChI=1S/C19H18F2N4O3S/c20-17(21)19-24-23-18(28-19)13-6-7-14(22-10-13)11-25(15-4-2-1-3-5-15)29(26)16-8-9-27-12-16/h1-7,10,16-17H,8-9,11-12H2
InChIKeySODQPBKPWMHCEE-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.53
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide (PubChem CID 145238623) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide
PubChem CID145238623
Molecular FormulaC19H18F2N4O3S
Molecular Weight420.44 g/mol
Exact Mass420.11
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide
SMILESO=S(C1CCOC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1
InChIInChI=1S/C19H18F2N4O3S/c20-17(21)19-24-23-18(28-19)13-6-7-14(22-10-13)11-25(15-4-2-1-3-5-15)29(26)16-8-9-27-12-16/h1-7,10,16-17H,8-9,11-12H2
InChIKeySODQPBKPWMHCEE-UHFFFAOYSA-N
XLogP3.53
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(oxolan-3-ylsulfanyl)aniline
CID 145238557
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
CID 145239716
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-3-pyrrolidin-1-ylpropane-1-sulfinamide
CID 145239225
acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
CID 145239715
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylpiperidin-4-yl)sulfanylaniline
CID 145239175
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane
CID 145238560
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3-methylphenyl)-1-(oxan-4-yl)piperidine-4-sulfonamide
CID 126506439
N-(3-chloro-4-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145239055
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide
CID 155348163
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-(oxan-4-yl)azetidine-3-carboxamide
CID 156891732
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-(oxetan-3-yl)piperazine-1-sulfinamide
CID 145239808

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide (CID 145238623) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide is O=S(C1CCOC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide?
The InChIKey is SODQPBKPWMHCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c20-17(21)19-24-23-18(28-19)13-6-7-14(22-10-13)11-25(15-4-2-1-3-5-15)29(26)16-8-9-27-12-16/h1-7,10,16-17H,8-9,11-12H2.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide has a molecular weight of 420.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide is sourced from PubChem (CID 145238623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).