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

C12H21N3O2 — CID 61360390

IUPAC2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-3-6-15(7-8-16)9-11-13-12(17-14-11)10-4-5-10/h10,16H,2-9H2,1H3
InChIKeyCGHSPVLDOGXSBF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds8

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

2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (PubChem CID 61360390) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
PubChem CID61360390
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-3-6-15(7-8-16)9-11-13-12(17-14-11)10-4-5-10/h10,16H,2-9H2,1H3
InChIKeyCGHSPVLDOGXSBF-UHFFFAOYSA-N
XLogP1.54
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]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

Related Compounds

2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
2-[cyclohexyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016216
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-ol
CID 115659683

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (CID 61360390) is 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1noc(C2CC2)n1.
What is the InChIKey of 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The InChIKey is CGHSPVLDOGXSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-6-15(7-8-16)9-11-13-12(17-14-11)10-4-5-10/h10,16H,2-9H2,1H3.
What are the key properties of 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 61360390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).