1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H15N3O2 — CID 112603748

IUPAC1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCc1nc(C(C)N)no1
InChIInChI=1S/C8H15N3O2/c1-5(2)12-4-7-10-8(6(3)9)11-13-7/h5-6H,4,9H2,1-3H3
InChIKeyZWGCYKMPASASCB-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.01
Rot. Bonds4

About 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 112603748) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID112603748
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCc1nc(C(C)N)no1
InChIInChI=1S/C8H15N3O2/c1-5(2)12-4-7-10-8(6(3)9)11-13-7/h5-6H,4,9H2,1-3H3
InChIKeyZWGCYKMPASASCB-UHFFFAOYSA-N
XLogP1.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62589330
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 112603783
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325608
1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103557972
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 112603748) is 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(C)OCc1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is ZWGCYKMPASASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(2)12-4-7-10-8(6(3)9)11-13-7/h5-6H,4,9H2,1-3H3.
What are the key properties of 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 185.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 112603748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).