3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

C15H12F2N4O2 — CID 99838182

IUPAC3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)no1
InChIInChI=1S/C15H12F2N4O2/c1-7-18-13(20-22-7)6-14-19-15(23-21-14)11-5-10(11)9-3-2-8(16)4-12(9)17/h2-4,10-11H,5-6H2,1H3/t10-,11+/m0/s1
InChIKeyKDYRSNUIGKKJGD-WDEREUQCSA-N
MW318.28 g/mol
LogP2.90
Rot. Bonds4

About 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 99838182) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID99838182
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)no1
InChIInChI=1S/C15H12F2N4O2/c1-7-18-13(20-22-7)6-14-19-15(23-21-14)11-5-10(11)9-3-2-8(16)4-12(9)17/h2-4,10-11H,5-6H2,1H3/t10-,11+/m0/s1
InChIKeyKDYRSNUIGKKJGD-WDEREUQCSA-N
XLogP2.90
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 99838182) is 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)no1.
What is the InChIKey of 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is KDYRSNUIGKKJGD-WDEREUQCSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-7-18-13(20-22-7)6-14-19-15(23-21-14)11-5-10(11)9-3-2-8(16)4-12(9)17/h2-4,10-11H,5-6H2,1H3/t10-,11+/m0/s1.
What are the key properties of 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 318.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 99838182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).