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

C22H18FN3O3S — CID 20960283

IUPACN-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1nnc(-c2ccccc2)o1)c1ccccc1F
InChIInChI=1S/C22H18FN3O3S/c23-19-14-8-7-13-18(19)20(26-30(27,28)15-16-9-3-1-4-10-16)22-25-24-21(29-22)17-11-5-2-6-12-17/h1-14,20,26H,15H2
InChIKeyLVZOFAUDBSCMSU-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.08
Rot. Bonds7

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

N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 20960283) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID20960283
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1nnc(-c2ccccc2)o1)c1ccccc1F
InChIInChI=1S/C22H18FN3O3S/c23-19-14-8-7-13-18(19)20(26-30(27,28)15-16-9-3-1-4-10-16)22-25-24-21(29-22)17-11-5-2-6-12-17/h1-14,20,26H,15H2
InChIKeyLVZOFAUDBSCMSU-UHFFFAOYSA-N
XLogP4.08
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 92711176
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711179
N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711180
(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 92707818
4-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700688
4-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944456
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methylphenyl)ethanamine
CID 92707841
3,4-difluoro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944491
3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 20960250
2,5-diethoxy-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 46339183
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide (CID 20960283) is N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC(c1nnc(-c2ccccc2)o1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is LVZOFAUDBSCMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c23-19-14-8-7-13-18(19)20(26-30(27,28)15-16-9-3-1-4-10-16)22-25-24-21(29-22)17-11-5-2-6-12-17/h1-14,20,26H,15H2.
What are the key properties of N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 423.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 20960283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).