[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C20H26N4O4 — CID 55494322

IUPAC[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCN(CC4CCCO4)CC3)cc2)no1
InChIInChI=1S/C20H26N4O4/c1-15-21-19(22-28-15)14-27-17-6-4-16(5-7-17)20(25)24-10-8-23(9-11-24)13-18-3-2-12-26-18/h4-7,18H,2-3,8-14H2,1H3
InChIKeyRXUGVZILRRMESD-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.89
Rot. Bonds6

About [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55494322) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID55494322
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCN(CC4CCCO4)CC3)cc2)no1
InChIInChI=1S/C20H26N4O4/c1-15-21-19(22-28-15)14-27-17-6-4-16(5-7-17)20(25)24-10-8-23(9-11-24)13-18-3-2-12-26-18/h4-7,18H,2-3,8-14H2,1H3
InChIKeyRXUGVZILRRMESD-UHFFFAOYSA-N
XLogP1.89
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
tert-butyl 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazine-1-carboxylate
CID 31122195
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054018
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16595051
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55338031
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55499668
N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55818555

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 55494322) is [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is Cc1nc(COc2ccc(C(=O)N3CCN(CC4CCCO4)CC3)cc2)no1.
What is the InChIKey of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RXUGVZILRRMESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-15-21-19(22-28-15)14-27-17-6-4-16(5-7-17)20(25)24-10-8-23(9-11-24)13-18-3-2-12-26-18/h4-7,18H,2-3,8-14H2,1H3.
What are the key properties of [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 386.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55494322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).