3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole

C15H14F2N4O — CID 138003210

IUPAC3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole
SMILESCC(Cc1nc(Cc2c(F)cccc2F)no1)n1ccnc1
InChIInChI=1S/C15H14F2N4O/c1-10(21-6-5-18-9-21)7-15-19-14(20-22-15)8-11-12(16)3-2-4-13(11)17/h2-6,9-10H,7-8H2,1H3
InChIKeySUNKAQHQGPLRBF-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.94
Rot. Bonds5

About 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole

3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 138003210) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID138003210
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole
SMILESCC(Cc1nc(Cc2c(F)cccc2F)no1)n1ccnc1
InChIInChI=1S/C15H14F2N4O/c1-10(21-6-5-18-9-21)7-15-19-14(20-22-15)8-11-12(16)3-2-4-13(11)17/h2-6,9-10H,7-8H2,1H3
InChIKeySUNKAQHQGPLRBF-UHFFFAOYSA-N
XLogP2.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350532
1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349427
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072364
3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride
CID 70394939
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63022131
1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63351142
(1S)-1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104880512
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63758295
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63350444
N-[[5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342950
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349341
(2S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 126453961

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole (CID 138003210) is 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole is CC(Cc1nc(Cc2c(F)cccc2F)no1)n1ccnc1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is SUNKAQHQGPLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c1-10(21-6-5-18-9-21)7-15-19-14(20-22-15)8-11-12(16)3-2-4-13(11)17/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole?
3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 304.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138003210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).