(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

C25H29ClN4O4 — CID 43065087

IUPAC(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)cc1OC
InChIInChI=1S/C25H29ClN4O4/c1-4-14-33-22-20(26)15-19(16-21(22)32-3)25(31)30-12-10-29(11-13-30)17(2)24-27-23(28-34-24)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3
InChIKeyPKJQFDHDGMVINZ-UHFFFAOYSA-N
MW484.98 g/mol
LogP4.71
Rot. Bonds8

About (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 43065087) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
PubChem CID43065087
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)cc1OC
InChIInChI=1S/C25H29ClN4O4/c1-4-14-33-22-20(26)15-19(16-21(22)32-3)25(31)30-12-10-29(11-13-30)17(2)24-27-23(28-34-24)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3
InChIKeyPKJQFDHDGMVINZ-UHFFFAOYSA-N
XLogP4.71
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073655
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403384
(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46445991
(7-methoxy-1-benzofuran-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78870629
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
2-(2,5-dimethoxyphenyl)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 78870625
(5-bromo-3-pyridinyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065034
(3,4-diethoxyphenyl)-[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 38779909
(3-hydroxynaphthalen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403274
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (CID 43065087) is (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is CCCOc1c(Cl)cc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)cc1OC.
What is the InChIKey of (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is PKJQFDHDGMVINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-4-14-33-22-20(26)15-19(16-21(22)32-3)25(31)30-12-10-29(11-13-30)17(2)24-27-23(28-34-24)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3.
What are the key properties of (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
(3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 484.98 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methoxy-4-propoxyphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 43065087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).