1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one

C18H17FN4O2 — CID 11484576

IUPAC1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one
SMILESCNc1ncccc1-c1noc(-c2ccc(C(=O)C(C)C)c(F)c2)n1
InChIInChI=1S/C18H17FN4O2/c1-10(2)15(24)12-7-6-11(9-14(12)19)18-22-17(23-25-18)13-5-4-8-21-16(13)20-3/h4-10H,1-3H3,(H,20,21)
InChIKeyCHLQQAKFKZBMFC-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one

1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one (PubChem CID 11484576) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one
PubChem CID11484576
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one
SMILESCNc1ncccc1-c1noc(-c2ccc(C(=O)C(C)C)c(F)c2)n1
InChIInChI=1S/C18H17FN4O2/c1-10(2)15(24)12-7-6-11(9-14(12)19)18-22-17(23-25-18)13-5-4-8-21-16(13)20-3/h4-10H,1-3H3,(H,20,21)
InChIKeyCHLQQAKFKZBMFC-UHFFFAOYSA-N
XLogP3.82
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one with MolForge

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Related Compounds

NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 867088
5-(3,4-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 888298
5-(2,4-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 925365
4-{5-[2-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1486742
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
Bas 07396695
CID 3156021
5-Naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole
CID 6462835

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one (CID 11484576) is 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one is CNc1ncccc1-c1noc(-c2ccc(C(=O)C(C)C)c(F)c2)n1.
What is the InChIKey of 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one?
The InChIKey is CHLQQAKFKZBMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10(2)15(24)12-7-6-11(9-14(12)19)18-22-17(23-25-18)13-5-4-8-21-16(13)20-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one?
1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one has a molecular weight of 340.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 11484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).