3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole

C10H12N4O — CID 22271741

IUPAC3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCc1ncn(C)c1-c1nc(C2CC2)no1
InChIInChI=1S/C10H12N4O/c1-6-8(14(2)5-11-6)10-12-9(13-15-10)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyWQBZBBVEGNMMFN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.66
Rot. Bonds2

About 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole (PubChem CID 22271741) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
PubChem CID22271741
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCc1ncn(C)c1-c1nc(C2CC2)no1
InChIInChI=1S/C10H12N4O/c1-6-8(14(2)5-11-6)10-12-9(13-15-10)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyWQBZBBVEGNMMFN-UHFFFAOYSA-N
XLogP1.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methyl-1H-imidazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 136052638
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethylimidazole-4-carboxamide
CID 125438647
3-Cyclopropyl-5-[1-methyl-5-(trifluoromethyl)triazol-4-yl]-1,2,4-oxadiazole
CID 132389305
5-[2-(Difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-3-ethyl-1,2,4-oxadiazole
CID 137956495
5-(3,5-Dimethyl-3H-imidazol-4-yl)-3-methyl-[1,2,4]oxadiazole
CID 22271700
5-(2-Bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
CID 22271704
5-(2-bromo-3,5-dimethyl-3H-imidazol-4-yl)-3-methyl-[1,2,4]oxadiazole
CID 22271714
5-(2-bromo-3,5-dimethyl-3H-imidazol-4-yl)-3-cyclopropyl-[1,2,4]oxadiazole
CID 22271744
1-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-7-ethylimidazo[1,5-a]pyrazin-8-one
CID 67869169
5-({[(1,4-dimethyl-1H-imidazol-5-yl)carbonyl]amino}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118777733
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-dimethyl-1H-imidazole-5-carboxamide
CID 122560394
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dimethyl-1H-imidazole-5-carboxamide
CID 122565717

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole (CID 22271741) is 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole is Cc1ncn(C)c1-c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is WQBZBBVEGNMMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-8(14(2)5-11-6)10-12-9(13-15-10)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 22271741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).