3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole

C11H16N4O2 — CID 75483490

IUPAC3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1nc(COCc2ncc[nH]2)no1
InChIInChI=1S/C11H16N4O2/c1-8(2)5-11-14-10(15-17-11)7-16-6-9-12-3-4-13-9/h3-4,8H,5-7H2,1-2H3,(H,12,13)
InChIKeyFEIFNIHQNKBENM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.71
Rot. Bonds6

About 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole

3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 75483490) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID75483490
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1nc(COCc2ncc[nH]2)no1
InChIInChI=1S/C11H16N4O2/c1-8(2)5-11-14-10(15-17-11)7-16-6-9-12-3-4-13-9/h3-4,8H,5-7H2,1-2H3,(H,12,13)
InChIKeyFEIFNIHQNKBENM-UHFFFAOYSA-N
XLogP1.71
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 71928489
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 95824615
(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 125167439
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
CID 125439377
3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 126840265
4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 136531175
4-[[1-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]morpholine
CID 138030062
(1H-imidazol-2-ylmethyl)[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]methylamine
CID 50961960
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-imidazole-2-carboxamide
CID 56755427
N-(1H-imidazol-2-ylmethyl)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 46992978
5-cyclopropyl-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
CID 136445782

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole (CID 75483490) is 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole is CC(C)Cc1nc(COCc2ncc[nH]2)no1.
What is the InChIKey of 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is FEIFNIHQNKBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(2)5-11-14-10(15-17-11)7-16-6-9-12-3-4-13-9/h3-4,8H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole?
3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75483490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).