3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol

C12H21N3O2 — CID 102848575

IUPAC3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
SMILESCCc1noc(CN(CCCO)C2CCC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-11-13-12(17-14-11)9-15(7-4-8-16)10-5-3-6-10/h10,16H,2-9H2,1H3
InChIKeyFGHATJNTAZVKDO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.37
Rot. Bonds7

About 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol

3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol (PubChem CID 102848575) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
PubChem CID102848575
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
SMILESCCc1noc(CN(CCCO)C2CCC2)n1
InChIInChI=1S/C12H21N3O2/c1-2-11-13-12(17-14-11)9-15(7-4-8-16)10-5-3-6-10/h10,16H,2-9H2,1H3
InChIKeyFGHATJNTAZVKDO-UHFFFAOYSA-N
XLogP1.37
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol
CID 110908622
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639764
2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62015042
2-[cyclohexyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016216
4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
CID 111457038
2-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl-[(3S)-thian-3-yl]amino]ethanol
CID 124738075
methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
CID 47025097
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111110109

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol (CID 102848575) is 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol is CCc1noc(CN(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
The InChIKey is FGHATJNTAZVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-11-13-12(17-14-11)9-15(7-4-8-16)10-5-3-6-10/h10,16H,2-9H2,1H3.
What are the key properties of 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 102848575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).