5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride

C15H25ClN4O — CID 154907310

IUPAC5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride
SMILESC1CN(c2noc(C3CC3)n2)CCC2(C1)CCNCC2.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-4-15(5-8-16-9-6-15)7-11-19(10-1)14-17-13(20-18-14)12-2-3-12;/h12,16H,1-11H2;1H
InChIKeyICNVYZWKDTVDOE-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.73
Rot. Bonds2

About 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride

5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 154907310) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID154907310
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride
SMILESC1CN(c2noc(C3CC3)n2)CCC2(C1)CCNCC2.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-4-15(5-8-16-9-6-15)7-11-19(10-1)14-17-13(20-18-14)12-2-3-12;/h12,16H,1-11H2;1H
InChIKeyICNVYZWKDTVDOE-UHFFFAOYSA-N
XLogP2.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride (CID 154907310) is 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride is C1CN(c2noc(C3CC3)n2)CCC2(C1)CCNCC2.Cl.
What is the InChIKey of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ICNVYZWKDTVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-4-15(5-8-16-9-6-15)7-11-19(10-1)14-17-13(20-18-14)12-2-3-12;/h12,16H,1-11H2;1H.
What are the key properties of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride?
5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 154907310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).