5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

C13H12N6O — CID 71996877

IUPAC5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(-c2nccn2Cc2noc(C3CC3)n2)cn1
InChIInChI=1S/C13H12N6O/c1-2-9(1)13-17-11(18-20-13)8-19-6-5-16-12(19)10-7-14-3-4-15-10/h3-7,9H,1-2,8H2
InChIKeyKUHSCUONUYWNCN-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.65
Rot. Bonds4

About 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 71996877) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID71996877
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(-c2nccn2Cc2noc(C3CC3)n2)cn1
InChIInChI=1S/C13H12N6O/c1-2-9(1)13-17-11(18-20-13)8-19-6-5-16-12(19)10-7-14-3-4-15-10/h3-7,9H,1-2,8H2
InChIKeyKUHSCUONUYWNCN-UHFFFAOYSA-N
XLogP1.65
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-Cyclopropyl-3-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122819
3-[1-[(5-Methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72149368
5-ethyl-3-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,2,4-oxadiazole
CID 72884296
[3-(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)-1-pyrrolidinyl](2-pyrazinyl)methanone
CID 91915233
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179
5-(2-Methylcyclopropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 119033069
5-[(1R,2R)-2-(fluoromethyl)cyclopropyl]-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
CID 167840181
5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
CID 167887039
5-Ethyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 21560762
5-Cyclopropyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 21560763
5-Tert-butyl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 59019222
5-Propan-2-yl-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 67986592

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 71996877) is 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is c1cnc(-c2nccn2Cc2noc(C3CC3)n2)cn1.
What is the InChIKey of 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is KUHSCUONUYWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-2-9(1)13-17-11(18-20-13)8-19-6-5-16-12(19)10-7-14-3-4-15-10/h3-7,9H,1-2,8H2.
What are the key properties of 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 268.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71996877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).