2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

C19H23F2N3O — CID 56881446

IUPAC2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(F)c1CCC1CCCN(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H23F2N3O/c20-16-4-1-5-17(21)15(16)9-6-13-3-2-10-24(11-13)12-18-22-23-19(25-18)14-7-8-14/h1,4-5,13-14H,2-3,6-12H2
InChIKeyZXKLXUMTDGHMNJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 56881446) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID56881446
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(F)c1CCC1CCCN(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H23F2N3O/c20-16-4-1-5-17(21)15(16)9-6-13-3-2-10-24(11-13)12-18-22-23-19(25-18)14-7-8-14/h1,4-5,13-14H,2-3,6-12H2
InChIKeyZXKLXUMTDGHMNJ-UHFFFAOYSA-N
XLogP4.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
CID 51107181
1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 53569298
1-cyclobutyl-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 53619487
1-[(5-Methyl-1,3,4-oxadiazol-2-YL)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56904163
1-(4-Benzylpiperidin-1-yl)-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 71793486
2-[(4-Benzyl-3,3-dimethylpiperazin-1-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 53602517
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 56823877
N-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-phenylprop-2-en-1-yl)cyclopropanamine
CID 91834181
2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95314623
2-cyclopropyl-5-[[(3R)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 95563606
2-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 97109660
2-ethyl-5-[[(3R)-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97814284

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 56881446) is 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is Fc1cccc(F)c1CCC1CCCN(Cc2nnc(C3CC3)o2)C1.
What is the InChIKey of 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is ZXKLXUMTDGHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-16-4-1-5-17(21)15(16)9-6-13-3-2-10-24(11-13)12-18-22-23-19(25-18)14-7-8-14/h1,4-5,13-14H,2-3,6-12H2.
What are the key properties of 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 347.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56881446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).