[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol

C15H23N3O3 — CID 126698815

IUPAC[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CC2CC2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C15H23N3O3/c1-14(2,3)21-13(19)18-7-10-6-15(10,8-18)12-17-16-11(20-12)9-4-5-9/h9-10,13,19H,4-8H2,1-3H3
InChIKeyGIRLTGIIZBKSJB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.61
Rot. Bonds4

About [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol

[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 126698815) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID126698815
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CC2CC2(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C15H23N3O3/c1-14(2,3)21-13(19)18-7-10-6-15(10,8-18)12-17-16-11(20-12)9-4-5-9/h9-10,13,19H,4-8H2,1-3H3
InChIKeyGIRLTGIIZBKSJB-UHFFFAOYSA-N
XLogP1.61
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 126698815) is [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N1CC2CC2(c2nnc(C3CC3)o2)C1.
What is the InChIKey of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is GIRLTGIIZBKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-14(2,3)21-13(19)18-7-10-6-15(10,8-18)12-17-16-11(20-12)9-4-5-9/h9-10,13,19H,4-8H2,1-3H3.
What are the key properties of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol?
[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 293.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 126698815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).