5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride

C10H14ClN3O — CID 131020863

IUPAC5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC1c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1.Cl
InChIInChI=1S/C10H13N3O.ClH/c1-2-5(1)9-12-10(14-13-9)8-4-6-3-7(6)11-8;/h5-8,11H,1-4H2;1H/t6-,7-,8+;/m1./s1
InChIKeyJOKDALVMMOMXSI-LRACWOHVSA-N
MW227.69 g/mol
LogP1.79
Rot. Bonds2

About 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride

5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 131020863) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
PubChem CID131020863
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC1c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1.Cl
InChIInChI=1S/C10H13N3O.ClH/c1-2-5(1)9-12-10(14-13-9)8-4-6-3-7(6)11-8;/h5-8,11H,1-4H2;1H/t6-,7-,8+;/m1./s1
InChIKeyJOKDALVMMOMXSI-LRACWOHVSA-N
XLogP1.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

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CID 69197928
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3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
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
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 70384934
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 128922331
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride (CID 131020863) is 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride is C1CC1c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1.Cl.
What is the InChIKey of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is JOKDALVMMOMXSI-LRACWOHVSA-N. The full InChI is InChI=1S/C10H13N3O.ClH/c1-2-5(1)9-12-10(14-13-9)8-4-6-3-7(6)11-8;/h5-8,11H,1-4H2;1H/t6-,7-,8+;/m1./s1.
What are the key properties of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 131020863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).