1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C12H19N3O2 — CID 113391171

IUPAC1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1(c2nc(CC3CCCCO3)no2)CCC1
InChIInChI=1S/C12H19N3O2/c13-12(5-3-6-12)11-14-10(15-17-11)8-9-4-1-2-7-16-9/h9H,1-8,13H2
InChIKeyUJCQORKTNOEPBA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds3

About 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 113391171) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID113391171
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1(c2nc(CC3CCCCO3)no2)CCC1
InChIInChI=1S/C12H19N3O2/c13-12(5-3-6-12)11-14-10(15-17-11)8-9-4-1-2-7-16-9/h9H,1-8,13H2
InChIKeyUJCQORKTNOEPBA-UHFFFAOYSA-N
XLogP1.52
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103985754
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103985614
1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161289
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837262
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 113391148
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65159466
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65130648
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113391152

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 113391171) is 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is NC1(c2nc(CC3CCCCO3)no2)CCC1.
What is the InChIKey of 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is UJCQORKTNOEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12(5-3-6-12)11-14-10(15-17-11)8-9-4-1-2-7-16-9/h9H,1-8,13H2.
What are the key properties of 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 113391171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).