2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol

C15H19N3O2 — CID 107925177

IUPAC2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCC1(C)CC1c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-15(2)9-12(15)13-17-14(20-18-13)10-3-5-11(6-4-10)16-7-8-19/h3-6,12,16,19H,7-9H2,1-2H3
InChIKeyGLLKGRFYARFFNL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol

2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (PubChem CID 107925177) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
PubChem CID107925177
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCC1(C)CC1c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-15(2)9-12(15)13-17-14(20-18-13)10-3-5-11(6-4-10)16-7-8-19/h3-6,12,16,19H,7-9H2,1-2H3
InChIKeyGLLKGRFYARFFNL-UHFFFAOYSA-N
XLogP2.65
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The IUPAC name of 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (CID 107925177) is 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.
What is the SMILES notation for 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The canonical SMILES for 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is CC1(C)CC1c1noc(-c2ccc(NCCO)cc2)n1.
What is the InChIKey of 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The InChIKey is GLLKGRFYARFFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)9-12(15)13-17-14(20-18-13)10-3-5-11(6-4-10)16-7-8-19/h3-6,12,16,19H,7-9H2,1-2H3.
What are the key properties of 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is sourced from PubChem (CID 107925177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).