1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C19H20N4O4 — CID 68685646

IUPAC1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)on1
InChIInChI=1S/C19H20N4O4/c1-13-11-16(26-21-13)19-20-18(22-27-19)15-9-5-6-10-23(15)17(24)12-25-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3/t15-/m1/s1
InChIKeyDHUBPWWKXOFWPD-OAHLLOKOSA-N
MW368.39 g/mol
LogP3.17
Rot. Bonds5

About 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68685646) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68685646
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)on1
InChIInChI=1S/C19H20N4O4/c1-13-11-16(26-21-13)19-20-18(22-27-19)15-9-5-6-10-23(15)17(24)12-25-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3/t15-/m1/s1
InChIKeyDHUBPWWKXOFWPD-OAHLLOKOSA-N
XLogP3.17
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68685646) is 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is Cc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)on1.
What is the InChIKey of 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is DHUBPWWKXOFWPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-11-16(26-21-13)19-20-18(22-27-19)15-9-5-6-10-23(15)17(24)12-25-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 368.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68685646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).