3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C14H25N3O2 — CID 116740597

IUPAC3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC(C)(CC)c1noc(CC2CCNCC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(3,18-5-2)13-16-12(19-17-13)10-11-6-8-15-9-7-11/h11,15H,4-10H2,1-3H3
InChIKeyOGZZZMQVIAWXFV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds6

About 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116740597) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID116740597
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC(C)(CC)c1noc(CC2CCNCC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(3,18-5-2)13-16-12(19-17-13)10-11-6-8-15-9-7-11/h11,15H,4-10H2,1-3H3
InChIKeyOGZZZMQVIAWXFV-UHFFFAOYSA-N
XLogP2.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
3-(2-ethoxybutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116740578
5-(azepan-2-yl)-3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740654
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116743989
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781585
5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 63342811
N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116806158
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116780226
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076
3-(1-ethoxycyclopentyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116741386

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 116740597) is 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is CCOC(C)(CC)c1noc(CC2CCNCC2)n1.
What is the InChIKey of 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OGZZZMQVIAWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(3,18-5-2)13-16-12(19-17-13)10-11-6-8-15-9-7-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).