4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C21H23N5O3 — CID 120960561

IUPAC4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc(C3CNCCN3C)no2)cc1
InChIInChI=1S/C21H23N5O3/c1-26-12-11-22-13-18(26)19-24-21(29-25-19)16-5-3-4-6-17(16)23-20(27)14-7-9-15(28-2)10-8-14/h3-10,18,22H,11-13H2,1-2H3,(H,23,27)
InChIKeyHNLWBHPHZARASS-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.57
Rot. Bonds5

About 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 120960561) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID120960561
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc(C3CNCCN3C)no2)cc1
InChIInChI=1S/C21H23N5O3/c1-26-12-11-22-13-18(26)19-24-21(29-25-19)16-5-3-4-6-17(16)23-20(27)14-7-9-15(28-2)10-8-14/h3-10,18,22H,11-13H2,1-2H3,(H,23,27)
InChIKeyHNLWBHPHZARASS-UHFFFAOYSA-N
XLogP2.57
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 120956782
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120960028
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
3-(1-methylpiperazin-2-yl)-5-[2-(2-phenoxyethoxy)phenyl]-1,2,4-oxadiazole
CID 120959055
2-methyl-N-(3-methylbutan-2-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120958406
N-(2-fluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 120957524
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 120960561) is 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nc(C3CNCCN3C)no2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is HNLWBHPHZARASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26-12-11-22-13-18(26)19-24-21(29-25-19)16-5-3-4-6-17(16)23-20(27)14-7-9-15(28-2)10-8-14/h3-10,18,22H,11-13H2,1-2H3,(H,23,27).
What are the key properties of 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 393.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 120960561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).