5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C16H27N3O — CID 123446995

IUPAC5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESC1CCCCC(c2nc(C3CCCN3)no2)CCCC1
InChIInChI=1S/C16H27N3O/c1-2-4-6-9-13(10-7-5-3-1)16-18-15(19-20-16)14-11-8-12-17-14/h13-14,17H,1-12H2
InChIKeyHNGROGNATUURCF-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.10
Rot. Bonds2

About 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 123446995) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID123446995
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESC1CCCCC(c2nc(C3CCCN3)no2)CCCC1
InChIInChI=1S/C16H27N3O/c1-2-4-6-9-13(10-7-5-3-1)16-18-15(19-20-16)14-11-8-12-17-14/h13-14,17H,1-12H2
InChIKeyHNGROGNATUURCF-UHFFFAOYSA-N
XLogP4.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole
CID 103972198
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518

Frequently Asked Questions

What is the IUPAC name of 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 123446995) is 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is C1CCCCC(c2nc(C3CCCN3)no2)CCCC1.
What is the InChIKey of 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is HNGROGNATUURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-4-6-9-13(10-7-5-3-1)16-18-15(19-20-16)14-11-8-12-17-14/h13-14,17H,1-12H2.
What are the key properties of 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 123446995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).