3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole

C11H16N4O — CID 53193103

IUPAC3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(Cn2ccnc2)no1
InChIInChI=1S/C11H16N4O/c1-3-9(4-2)11-13-10(14-16-11)7-15-6-5-12-8-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyGTJPMVJENGWJDN-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.22
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole

3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole (PubChem CID 53193103) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole
PubChem CID53193103
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(Cn2ccnc2)no1
InChIInChI=1S/C11H16N4O/c1-3-9(4-2)11-13-10(14-16-11)7-15-6-5-12-8-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyGTJPMVJENGWJDN-UHFFFAOYSA-N
XLogP2.22
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole (CID 53193103) is 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole is CCC(CC)c1nc(Cn2ccnc2)no1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole?
The InChIKey is GTJPMVJENGWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9(4-2)11-13-10(14-16-11)7-15-6-5-12-8-15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole?
3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-5-pentan-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53193103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).