3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

C14H23N3O — CID 65389898

IUPAC3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCCC(c2noc(CC3CCCN3)n2)CC1
InChIInChI=1S/C14H23N3O/c1-2-4-7-11(6-3-1)14-16-13(18-17-14)10-12-8-5-9-15-12/h11-12,15H,1-10H2
InChIKeyBBGJNJZJIIXZPV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.80
Rot. Bonds3

About 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 65389898) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID65389898
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCCC(c2noc(CC3CCCN3)n2)CC1
InChIInChI=1S/C14H23N3O/c1-2-4-7-11(6-3-1)14-16-13(18-17-14)10-12-8-5-9-15-12/h11-12,15H,1-10H2
InChIKeyBBGJNJZJIIXZPV-UHFFFAOYSA-N
XLogP2.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
3-(4-tert-butylcyclohexyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65401812
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 65389710
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799
2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078262
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole (CID 65389898) is 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole is C1CCCC(c2noc(CC3CCCN3)n2)CC1.
What is the InChIKey of 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BBGJNJZJIIXZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-4-7-11(6-3-1)14-16-13(18-17-14)10-12-8-5-9-15-12/h11-12,15H,1-10H2.
What are the key properties of 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65389898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).