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

C10H14N4O — CID 53014748

IUPAC5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nccn1Cc1nc(C(C)C)no1
InChIInChI=1S/C10H14N4O/c1-7(2)10-12-9(15-13-10)6-14-5-4-11-8(14)3/h4-5,7H,6H2,1-3H3
InChIKeyJEYASEGGFTYPPV-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.75
Rot. Bonds3

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

5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 53014748) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID53014748
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nccn1Cc1nc(C(C)C)no1
InChIInChI=1S/C10H14N4O/c1-7(2)10-12-9(15-13-10)6-14-5-4-11-8(14)3/h4-5,7H,6H2,1-3H3
InChIKeyJEYASEGGFTYPPV-UHFFFAOYSA-N
XLogP1.75
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191361
tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077871
3-cyclohexyl-5-[(2-ethyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164468
5-Methyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53559374
5-Cyclopropyl-3-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566155
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53567324
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 53612620
5-Methyl-3-[[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53614295
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 53620241
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 56874414
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 70715812
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 71878595

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 53014748) is 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nccn1Cc1nc(C(C)C)no1.
What is the InChIKey of 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JEYASEGGFTYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(2)10-12-9(15-13-10)6-14-5-4-11-8(14)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 206.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).