1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C16H21N3O2 — CID 114918176

IUPAC1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOC1(c2noc(C(N)CCc3ccccc3)n2)CCC1
InChIInChI=1S/C16H21N3O2/c1-20-16(10-5-11-16)15-18-14(21-19-15)13(17)9-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyYUQSWQMTGWNXBT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.73
Rot. Bonds6

About 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 114918176) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID114918176
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOC1(c2noc(C(N)CCc3ccccc3)n2)CCC1
InChIInChI=1S/C16H21N3O2/c1-20-16(10-5-11-16)15-18-14(21-19-15)13(17)9-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyYUQSWQMTGWNXBT-UHFFFAOYSA-N
XLogP2.73
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 114918176) is 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is COC1(c2noc(C(N)CCc3ccccc3)n2)CCC1.
What is the InChIKey of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is YUQSWQMTGWNXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-16(10-5-11-16)15-18-14(21-19-15)13(17)9-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3.
What are the key properties of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 114918176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).