5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole

C9H12FN3O — CID 171326301

IUPAC5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESFC1(c2noc(C3CC3)n2)CCNC1
InChIInChI=1S/C9H12FN3O/c10-9(3-4-11-5-9)8-12-7(14-13-8)6-1-2-6/h6,11H,1-5H2
InChIKeyWDHCPIRZVXRUCG-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.11
Rot. Bonds2

About 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 171326301) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID171326301
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESFC1(c2noc(C3CC3)n2)CCNC1
InChIInChI=1S/C9H12FN3O/c10-9(3-4-11-5-9)8-12-7(14-13-8)6-1-2-6/h6,11H,1-5H2
InChIKeyWDHCPIRZVXRUCG-UHFFFAOYSA-N
XLogP1.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 156745989
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;iodomethane
CID 165104498
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 172908952
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine
CID 82719440
3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole (CID 171326301) is 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole is FC1(c2noc(C3CC3)n2)CCNC1.
What is the InChIKey of 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is WDHCPIRZVXRUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-9(3-4-11-5-9)8-12-7(14-13-8)6-1-2-6/h6,11H,1-5H2.
What are the key properties of 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 197.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(3-fluoropyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 171326301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).