5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

C20H20FN7O — CID 133284931

IUPAC5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCCc1cc(N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)n2ncnc2n1
InChIInChI=1S/C20H20FN7O/c1-2-16-10-17(28-20(24-16)22-12-23-28)27-8-4-6-14(11-27)19-25-18(26-29-19)13-5-3-7-15(21)9-13/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3
InChIKeyATRBKNBDJCGJOL-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.26
Rot. Bonds4

About 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 133284931) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID133284931
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCCc1cc(N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)n2ncnc2n1
InChIInChI=1S/C20H20FN7O/c1-2-16-10-17(28-20(24-16)22-12-23-28)27-8-4-6-14(11-27)19-25-18(26-29-19)13-5-3-7-15(21)9-13/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3
InChIKeyATRBKNBDJCGJOL-UHFFFAOYSA-N
XLogP3.26
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 133284910
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile
CID 133457282
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3H-quinazolin-4-one
CID 137260637
N,N-dimethyl-5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 124889277
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide
CID 98731404

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (CID 133284931) is 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is CCc1cc(N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)n2ncnc2n1.
What is the InChIKey of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is ATRBKNBDJCGJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-2-16-10-17(28-20(24-16)22-12-23-28)27-8-4-6-14(11-27)19-25-18(26-29-19)13-5-3-7-15(21)9-13/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3.
What are the key properties of 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 393.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133284931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).