5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C18H14FN5OS — CID 51930936

IUPAC5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H](Sc1nccn1-c1cccc(F)c1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H14FN5OS/c1-12(17-22-16(23-25-17)13-4-3-7-20-11-13)26-18-21-8-9-24(18)15-6-2-5-14(19)10-15/h2-12H,1H3/t12-/m1/s1
InChIKeyNEVIZMDRQRZVKA-GFCCVEGCSA-N
MW367.41 g/mol
LogP4.31
Rot. Bonds5

About 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 51930936) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID51930936
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC Name5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H](Sc1nccn1-c1cccc(F)c1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H14FN5OS/c1-12(17-22-16(23-25-17)13-4-3-7-20-11-13)26-18-21-8-9-24(18)15-6-2-5-14(19)10-15/h2-12H,1H3/t12-/m1/s1
InChIKeyNEVIZMDRQRZVKA-GFCCVEGCSA-N
XLogP4.31
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 134052377
5-[1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 17418061
5-[(1S)-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41044884
5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 25421917
3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 95545239
5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41014241
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
3-(3-fluoro-4-methylphenyl)-5-[1-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 46516626
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
5-[1-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 47023408
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 51930936) is 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is C[C@@H](Sc1nccn1-c1cccc(F)c1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is NEVIZMDRQRZVKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-12(17-22-16(23-25-17)13-4-3-7-20-11-13)26-18-21-8-9-24(18)15-6-2-5-14(19)10-15/h2-12H,1H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 367.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51930936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).