1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

C24H23N5O3 — CID 68687418

IUPAC1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(-c3cnc[nH]3)cc2)no1
InChIInChI=1S/C24H23N5O3/c30-22(15-31-19-6-2-1-3-7-19)29-13-5-4-8-21(29)24-27-23(28-32-24)18-11-9-17(10-12-18)20-14-25-16-26-20/h1-3,6-7,9-12,14,16,21H,4-5,8,13,15H2,(H,25,26)/t21-/m1/s1
InChIKeyXNUIVPRDANKSRO-OAQYLSRUSA-N
MW429.48 g/mol
LogP4.26
Rot. Bonds6

About 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68687418) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68687418
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(-c3cnc[nH]3)cc2)no1
InChIInChI=1S/C24H23N5O3/c30-22(15-31-19-6-2-1-3-7-19)29-13-5-4-8-21(29)24-27-23(28-32-24)18-11-9-17(10-12-18)20-14-25-16-26-20/h1-3,6-7,9-12,14,16,21H,4-5,8,13,15H2,(H,25,26)/t21-/m1/s1
InChIKeyXNUIVPRDANKSRO-OAQYLSRUSA-N
XLogP4.26
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68687418) is 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(-c3cnc[nH]3)cc2)no1.
What is the InChIKey of 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is XNUIVPRDANKSRO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-22(15-31-19-6-2-1-3-7-19)29-13-5-4-8-21(29)24-27-23(28-32-24)18-11-9-17(10-12-18)20-14-25-16-26-20/h1-3,6-7,9-12,14,16,21H,4-5,8,13,15H2,(H,25,26)/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 429.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68687418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).