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

C16H21N5O3 — CID 120956782

IUPAC4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(C3CNCCN3C)no2)cc1
InChIInChI=1S/C16H21N5O3/c1-21-8-7-17-9-13(21)15-19-14(24-20-15)10-18-16(22)11-3-5-12(23-2)6-4-11/h3-6,13,17H,7-10H2,1-2H3,(H,18,22)
InChIKeyCFWCNVMVRGOSGI-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.58
Rot. Bonds5

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

4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 120956782) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID120956782
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(C3CNCCN3C)no2)cc1
InChIInChI=1S/C16H21N5O3/c1-21-8-7-17-9-13(21)15-19-14(24-20-15)10-18-16(22)11-3-5-12(23-2)6-4-11/h3-6,13,17H,7-10H2,1-2H3,(H,18,22)
InChIKeyCFWCNVMVRGOSGI-UHFFFAOYSA-N
XLogP0.58
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120956345
4-tert-butyl-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120959598
4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 120960561
4-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]benzamide;hydrochloride
CID 120961454
1-(3-fluoro-4-methoxyphenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120956491
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 120956268
1-[3-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 120958379
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 120957836
5-[(E)-2-(4-methoxyphenyl)prop-1-enyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957733

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 120956782) is 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nc(C3CNCCN3C)no2)cc1.
What is the InChIKey of 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is CFWCNVMVRGOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21-8-7-17-9-13(21)15-19-14(24-20-15)10-18-16(22)11-3-5-12(23-2)6-4-11/h3-6,13,17H,7-10H2,1-2H3,(H,18,22).
What are the key properties of 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 331.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 120956782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).