2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol

C11H19N3O2 — CID 133496790

IUPAC2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
SMILESCC(C)c1noc(NCC2(CCO)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)9-13-10(16-14-9)12-7-11(3-4-11)5-6-15/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyJGXCSUGBOQJNSJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds6

About 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 133496790) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID133496790
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
SMILESCC(C)c1noc(NCC2(CCO)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)9-13-10(16-14-9)12-7-11(3-4-11)5-6-15/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyJGXCSUGBOQJNSJ-UHFFFAOYSA-N
XLogP1.77
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol (CID 133496790) is 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol is CC(C)c1noc(NCC2(CCO)CC2)n1.
What is the InChIKey of 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is JGXCSUGBOQJNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)9-13-10(16-14-9)12-7-11(3-4-11)5-6-15/h8,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 133496790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).