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

C14H19N3O2 — CID 111121817

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol
SMILESCc1nnc(CN(CCO)CCc2ccccc2)o1
InChIInChI=1S/C14H19N3O2/c1-12-15-16-14(19-12)11-17(9-10-18)8-7-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
InChIKeyXXMXTTKKYXRIBU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.42
Rot. Bonds7

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol (PubChem CID 111121817) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol
PubChem CID111121817
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol
SMILESCc1nnc(CN(CCO)CCc2ccccc2)o1
InChIInChI=1S/C14H19N3O2/c1-12-15-16-14(19-12)11-17(9-10-18)8-7-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
InChIKeyXXMXTTKKYXRIBU-UHFFFAOYSA-N
XLogP1.42
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol (CID 111121817) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol is Cc1nnc(CN(CCO)CCc2ccccc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol?
The InChIKey is XXMXTTKKYXRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-12-15-16-14(19-12)11-17(9-10-18)8-7-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2-phenylethyl)amino]ethanol is sourced from PubChem (CID 111121817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).