2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C20H27N5O4 — CID 18271596

IUPAC2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nnc(CN3CCN(CC(=O)N4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C20H27N5O4/c1-27-17-4-2-16(3-5-17)20-22-21-18(29-20)14-23-6-8-24(9-7-23)15-19(26)25-10-12-28-13-11-25/h2-5H,6-15H2,1H3
InChIKeyHGSMVPJVFPECOZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP0.72
Rot. Bonds6

About 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 18271596) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID18271596
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nnc(CN3CCN(CC(=O)N4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C20H27N5O4/c1-27-17-4-2-16(3-5-17)20-22-21-18(29-20)14-23-6-8-24(9-7-23)15-19(26)25-10-12-28-13-11-25/h2-5H,6-15H2,1H3
InChIKeyHGSMVPJVFPECOZ-UHFFFAOYSA-N
XLogP0.72
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
2-[4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18209846
1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 35486547
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978
2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
CID 5146548
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 9077346
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]phenol
CID 36839855
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 110335024
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30741331
1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78896865
N,N-diethyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55629971
3-(4-methoxyphenyl)-1-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 86970246

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 18271596) is 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2nnc(CN3CCN(CC(=O)N4CCOCC4)CC3)o2)cc1.
What is the InChIKey of 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is HGSMVPJVFPECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-27-17-4-2-16(3-5-17)20-22-21-18(29-20)14-23-6-8-24(9-7-23)15-19(26)25-10-12-28-13-11-25/h2-5H,6-15H2,1H3.
What are the key properties of 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 401.47 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 18271596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).