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

C13H18N4O2 — CID 133381525

IUPAC2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol
SMILESCC(C)c1noc(-c2ccnc(N(C)CCO)c2)n1
InChIInChI=1S/C13H18N4O2/c1-9(2)12-15-13(19-16-12)10-4-5-14-11(8-10)17(3)6-7-18/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeySXUKPBNXGMVYHY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.68
Rot. Bonds5

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

2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol (PubChem CID 133381525) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol
PubChem CID133381525
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol
SMILESCC(C)c1noc(-c2ccnc(N(C)CCO)c2)n1
InChIInChI=1S/C13H18N4O2/c1-9(2)12-15-13(19-16-12)10-4-5-14-11(8-10)17(3)6-7-18/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeySXUKPBNXGMVYHY-UHFFFAOYSA-N
XLogP1.68
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol (CID 133381525) is 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol is CC(C)c1noc(-c2ccnc(N(C)CCO)c2)n1.
What is the InChIKey of 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol?
The InChIKey is SXUKPBNXGMVYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)12-15-13(19-16-12)10-4-5-14-11(8-10)17(3)6-7-18/h4-5,8-9,18H,6-7H2,1-3H3.
What are the key properties of 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol?
2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 133381525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).