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

C17H25N5O2 — CID 20952697

IUPAC3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(NCCCN3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H25N5O2/c1-21-10-12-22(13-11-21)9-3-8-18-17-19-16(20-24-17)14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,19,20)
InChIKeyGKKARYDKAGSHSO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.79
Rot. Bonds7

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

3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine (PubChem CID 20952697) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
PubChem CID20952697
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(NCCCN3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H25N5O2/c1-21-10-12-22(13-11-21)9-3-8-18-17-19-16(20-24-17)14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,19,20)
InChIKeyGKKARYDKAGSHSO-UHFFFAOYSA-N
XLogP1.79
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342136
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115
N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958
3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
CID 167823383
3-(4-methoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 154771153
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851570

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine (CID 20952697) is 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine is COc1ccc(-c2noc(NCCCN3CCN(C)CC3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is GKKARYDKAGSHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-21-10-12-22(13-11-21)9-3-8-18-17-19-16(20-24-17)14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine?
3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 331.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20952697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).