5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C11H17N5O — CID 82845644

IUPAC5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(-c2nccn2C)no1
InChIInChI=1S/C11H17N5O/c1-8(12)4-3-5-9-14-10(15-17-9)11-13-6-7-16(11)2/h6-8H,3-5,12H2,1-2H3
InChIKeyQMHNGQNDZMWRCE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.14
Rot. Bonds5

About 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82845644) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82845644
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(-c2nccn2C)no1
InChIInChI=1S/C11H17N5O/c1-8(12)4-3-5-9-14-10(15-17-9)11-13-6-7-16(11)2/h6-8H,3-5,12H2,1-2H3
InChIKeyQMHNGQNDZMWRCE-UHFFFAOYSA-N
XLogP1.14
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82845644) is 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CC(N)CCCc1nc(-c2nccn2C)no1.
What is the InChIKey of 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is QMHNGQNDZMWRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(12)4-3-5-9-14-10(15-17-9)11-13-6-7-16(11)2/h6-8H,3-5,12H2,1-2H3.
What are the key properties of 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82845644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).