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

C16H21N3O2 — CID 102677089

IUPAC2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCc1cccc(-c2nc(CN(CCO)C3CCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-5-13(10-12)16-17-15(18-21-16)11-19(8-9-20)14-6-3-7-14/h2,4-5,10,14,20H,3,6-9,11H2,1H3
InChIKeyFILZAGXPZDUDTB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds6

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

2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (PubChem CID 102677089) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
PubChem CID102677089
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCc1cccc(-c2nc(CN(CCO)C3CCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-5-13(10-12)16-17-15(18-21-16)11-19(8-9-20)14-6-3-7-14/h2,4-5,10,14,20H,3,6-9,11H2,1H3
InChIKeyFILZAGXPZDUDTB-UHFFFAOYSA-N
XLogP2.39
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
CID 102677203
2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 107485272
2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016020
2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62015042
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
(3S,4R)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 79420529
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
2-[cyclohexyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016216
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 71823766
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
5-(3-methylphenyl)-3-(oxolan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 53498142

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (CID 102677089) is 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is Cc1cccc(-c2nc(CN(CCO)C3CCC3)no2)c1.
What is the InChIKey of 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The InChIKey is FILZAGXPZDUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-2-5-13(10-12)16-17-15(18-21-16)11-19(8-9-20)14-6-3-7-14/h2,4-5,10,14,20H,3,6-9,11H2,1H3.
What are the key properties of 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 102677089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).