N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C18H25N5O3 — CID 120958643

IUPACN-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOc1cccc(CC(NC(C)=O)c2nc(C3CNCCN3C)no2)c1
InChIInChI=1S/C18H25N5O3/c1-12(24)20-15(10-13-5-4-6-14(9-13)25-3)18-21-17(22-26-18)16-11-19-7-8-23(16)2/h4-6,9,15-16,19H,7-8,10-11H2,1-3H3,(H,20,24)
InChIKeyRUGUOOXGWPEYRX-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.07
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 120958643) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID120958643
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOc1cccc(CC(NC(C)=O)c2nc(C3CNCCN3C)no2)c1
InChIInChI=1S/C18H25N5O3/c1-12(24)20-15(10-13-5-4-6-14(9-13)25-3)18-21-17(22-26-18)16-11-19-7-8-23(16)2/h4-6,9,15-16,19H,7-8,10-11H2,1-3H3,(H,20,24)
InChIKeyRUGUOOXGWPEYRX-UHFFFAOYSA-N
XLogP1.07
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(3-methoxyphenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959320
1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone
CID 120957096
N-[1-(4-methylphenyl)-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 120957436
N-[cyclopentyl-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 120956540
3-(1-methylpiperazin-2-yl)-5-[1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-oxadiazole
CID 120960367
5-[1-(3-tert-butylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956420
3-methyl-N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120959638
4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 120956782
[1-(3-methylphenyl)-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea;hydrochloride
CID 120960084
3-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]butanamide;hydrochloride
CID 120956333
4-methoxy-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 120960561
5-[2-(3-fluorophenyl)-1-(5-methyltetrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956396

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 120958643) is N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is COc1cccc(CC(NC(C)=O)c2nc(C3CNCCN3C)no2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is RUGUOOXGWPEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(24)20-15(10-13-5-4-6-14(9-13)25-3)18-21-17(22-26-18)16-11-19-7-8-23(16)2/h4-6,9,15-16,19H,7-8,10-11H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 120958643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).