2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

C23H27N5O4 — CID 90491417

IUPAC2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cn3)CC2)c1
InChIInChI=1S/C23H27N5O4/c1-16(2)23-25-22(26-32-23)17-7-8-20(24-14-17)27-9-11-28(12-10-27)21(29)15-31-19-6-4-5-18(13-19)30-3/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyNCSWEPRDMIZZGA-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.99
Rot. Bonds7

About 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 90491417) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID90491417
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cn3)CC2)c1
InChIInChI=1S/C23H27N5O4/c1-16(2)23-25-22(26-32-23)17-7-8-20(24-14-17)27-9-11-28(12-10-27)21(29)15-31-19-6-4-5-18(13-19)30-3/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyNCSWEPRDMIZZGA-UHFFFAOYSA-N
XLogP2.99
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 90491330
3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 90491427
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90491428
[3,5-bis(trifluoromethyl)phenyl]-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 121073138
3-(1,3-benzodioxol-5-yl)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]prop-2-en-1-one
CID 75354875
1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491452
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561
1-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 53172882
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491426
2-(3-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344106

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 90491417) is 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is COc1cccc(OCC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cn3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is NCSWEPRDMIZZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-16(2)23-25-22(26-32-23)17-7-8-20(24-14-17)27-9-11-28(12-10-27)21(29)15-31-19-6-4-5-18(13-19)30-3/h4-8,13-14,16H,9-12,15H2,1-3H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 437.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90491417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).