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

C14H25N3O3 — CID 116704065

IUPAC[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCOC(c1noc(C2(CN)CCOCC2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2,3)10(18-4)11-16-12(20-17-11)14(9-15)5-7-19-8-6-14/h10H,5-9,15H2,1-4H3
InChIKeyLBVJQKWKYNAHKA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds4

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

[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 116704065) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID116704065
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCOC(c1noc(C2(CN)CCOCC2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2,3)10(18-4)11-16-12(20-17-11)14(9-15)5-7-19-8-6-14/h10H,5-9,15H2,1-4H3
InChIKeyLBVJQKWKYNAHKA-UHFFFAOYSA-N
XLogP1.81
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine with MolForge

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Related Compounds

[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509
[1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116701602
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704055
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
ethyl 5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631526
(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565578
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
[1-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 112743548
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440194
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 116704065) is [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is COC(c1noc(C2(CN)CCOCC2)n1)C(C)(C)C.
What is the InChIKey of [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is LBVJQKWKYNAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-13(2,3)10(18-4)11-16-12(20-17-11)14(9-15)5-7-19-8-6-14/h10H,5-9,15H2,1-4H3.
What are the key properties of [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 116704065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).