5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

C13H23N3O — CID 51075884

IUPAC5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1CCCCN1Cc1nc(C(C)C)no1
InChIInChI=1S/C13H23N3O/c1-4-11-7-5-6-8-16(11)9-12-14-13(10(2)3)15-17-12/h10-11H,4-9H2,1-3H3
InChIKeyDJTRACPYZPTPKN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.96
Rot. Bonds4

About 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 51075884) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID51075884
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCC1CCCCN1Cc1nc(C(C)C)no1
InChIInChI=1S/C13H23N3O/c1-4-11-7-5-6-8-16(11)9-12-14-13(10(2)3)15-17-12/h10-11H,4-9H2,1-3H3
InChIKeyDJTRACPYZPTPKN-UHFFFAOYSA-N
XLogP2.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 51075884) is 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is CCC1CCCCN1Cc1nc(C(C)C)no1.
What is the InChIKey of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DJTRACPYZPTPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-11-7-5-6-8-16(11)9-12-14-13(10(2)3)15-17-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpiperidin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51075884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).