3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline

C19H28N6O — CID 146552480

IUPAC3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1cc(N)ccc1-c1nc(N2CCC(N3CCN(C)CC3)CC2)no1
InChIInChI=1S/C19H28N6O/c1-14-13-15(20)3-4-17(14)18-21-19(22-26-18)25-7-5-16(6-8-25)24-11-9-23(2)10-12-24/h3-4,13,16H,5-12,20H2,1-2H3
InChIKeyQSFYUEGGXKCBHG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.84
Rot. Bonds3

About 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline

3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 146552480) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
PubChem CID146552480
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1cc(N)ccc1-c1nc(N2CCC(N3CCN(C)CC3)CC2)no1
InChIInChI=1S/C19H28N6O/c1-14-13-15(20)3-4-17(14)18-21-19(22-26-18)25-7-5-16(6-8-25)24-11-9-23(2)10-12-24/h3-4,13,16H,5-12,20H2,1-2H3
InChIKeyQSFYUEGGXKCBHG-UHFFFAOYSA-N
XLogP1.84
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 146552774
4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477851
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
4-[1-[5-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477820
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
4-chloro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116806560
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 147324404
3-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196138
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
2,4-dimethyl-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116806836
3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline (CID 146552480) is 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline is Cc1cc(N)ccc1-c1nc(N2CCC(N3CCN(C)CC3)CC2)no1.
What is the InChIKey of 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is QSFYUEGGXKCBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-13-15(20)3-4-17(14)18-21-19(22-26-18)25-7-5-16(6-8-25)24-11-9-23(2)10-12-24/h3-4,13,16H,5-12,20H2,1-2H3.
What are the key properties of 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline?
3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 356.47 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 146552480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).