[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

C12H19N3O2 — CID 115440194

IUPAC[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESNCC1(c2nc(CC3CC3)no2)CCOCC1
InChIInChI=1S/C12H19N3O2/c13-8-12(3-5-16-6-4-12)11-14-10(15-17-11)7-9-1-2-9/h9H,1-8,13H2
InChIKeyXXIAMPQOLIGLMN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.03
Rot. Bonds4

About [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 115440194) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID115440194
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESNCC1(c2nc(CC3CC3)no2)CCOCC1
InChIInChI=1S/C12H19N3O2/c13-8-12(3-5-16-6-4-12)11-14-10(15-17-11)7-9-1-2-9/h9H,1-8,13H2
InChIKeyXXIAMPQOLIGLMN-UHFFFAOYSA-N
XLogP1.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440137
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440178
3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120841526
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103985754
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442802
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442761
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103985614
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 103344447
2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120955587

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 115440194) is [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is NCC1(c2nc(CC3CC3)no2)CCOCC1.
What is the InChIKey of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is XXIAMPQOLIGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-12(3-5-16-6-4-12)11-14-10(15-17-11)7-9-1-2-9/h9H,1-8,13H2.
What are the key properties of [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 115440194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).