2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C24H27N3O4 — CID 51662168

IUPAC2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCCOc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCC[C@H](C)C3)no2)cc1
InChIInChI=1S/C24H27N3O4/c1-3-29-19-12-10-18(11-13-19)24-25-23(26-31-24)20-8-4-5-9-21(20)30-16-22(28)27-14-6-7-17(2)15-27/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3/t17-/m0/s1
InChIKeyCTZMBHIIOJOLCB-KRWDZBQOSA-N
MW421.50 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 51662168) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID51662168
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCCOc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCC[C@H](C)C3)no2)cc1
InChIInChI=1S/C24H27N3O4/c1-3-29-19-12-10-18(11-13-19)24-25-23(26-31-24)20-8-4-5-9-21(20)30-16-22(28)27-14-6-7-17(2)15-27/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3/t17-/m0/s1
InChIKeyCTZMBHIIOJOLCB-KRWDZBQOSA-N
XLogP4.44
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 51662168) is 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCC[C@H](C)C3)no2)cc1.
What is the InChIKey of 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is CTZMBHIIOJOLCB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-29-19-12-10-18(11-13-19)24-25-23(26-31-24)20-8-4-5-9-21(20)30-16-22(28)27-14-6-7-17(2)15-27/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 421.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 51662168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).