[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C20H27N5O5S — CID 110658417

IUPAC[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1nnc(CCN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)o1
InChIInChI=1S/C20H27N5O5S/c1-16-21-22-19(30-16)6-7-23-8-10-24(11-9-23)20(26)17-2-4-18(5-3-17)31(27,28)25-12-14-29-15-13-25/h2-5H,6-15H2,1H3
InChIKeyVAPOABYUTOLTGM-UHFFFAOYSA-N
MW449.53 g/mol
LogP0.40
Rot. Bonds6

About [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 110658417) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID110658417
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1nnc(CCN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)o1
InChIInChI=1S/C20H27N5O5S/c1-16-21-22-19(30-16)6-7-23-8-10-24(11-9-23)20(26)17-2-4-18(5-3-17)31(27,28)25-12-14-29-15-13-25/h2-5H,6-15H2,1H3
InChIKeyVAPOABYUTOLTGM-UHFFFAOYSA-N
XLogP0.40
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110658400
2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
(3,5-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395723
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90506482
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936355
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 8790100
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90495021
5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110395835
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 16883540

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 110658417) is [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is Cc1nnc(CCN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)o1.
What is the InChIKey of [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is VAPOABYUTOLTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-16-21-22-19(30-16)6-7-23-8-10-24(11-9-23)20(26)17-2-4-18(5-3-17)31(27,28)25-12-14-29-15-13-25/h2-5H,6-15H2,1H3.
What are the key properties of [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 449.53 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 110658417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).