1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone

C24H27N5O4 — CID 16736552

IUPAC1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCNCC1c1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C24H27N5O4/c30-22(17-32-20-4-2-1-3-5-20)29-11-10-25-16-21(29)24-26-23(27-33-24)18-6-8-19(9-7-18)28-12-14-31-15-13-28/h1-9,21,25H,10-17H2
InChIKeyIXDSFLYDDSAPDN-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone

1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 16736552) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID16736552
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCNCC1c1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C24H27N5O4/c30-22(17-32-20-4-2-1-3-5-20)29-11-10-25-16-21(29)24-26-23(27-33-24)18-6-8-19(9-7-18)28-12-14-31-15-13-28/h1-9,21,25H,10-17H2
InChIKeyIXDSFLYDDSAPDN-UHFFFAOYSA-N
XLogP2.13
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone (CID 16736552) is 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCNCC1c1nc(-c2ccc(N3CCOCC3)cc2)no1.
What is the InChIKey of 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is IXDSFLYDDSAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c30-22(17-32-20-4-2-1-3-5-20)29-11-10-25-16-21(29)24-26-23(27-33-24)18-6-8-19(9-7-18)28-12-14-31-15-13-28/h1-9,21,25H,10-17H2.
What are the key properties of 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 449.51 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 16736552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).