3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline

C14H18N4O2 — CID 96669531

IUPAC3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nnc(N2CCCCC2)o1
InChIInChI=1S/C14H18N4O2/c1-19-12-9-10(15)5-6-11(12)13-16-17-14(20-13)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyIQKUMWILGNURHH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.32
Rot. Bonds3

About 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline

3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 96669531) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID96669531
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nnc(N2CCCCC2)o1
InChIInChI=1S/C14H18N4O2/c1-19-12-9-10(15)5-6-11(12)13-16-17-14(20-13)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyIQKUMWILGNURHH-UHFFFAOYSA-N
XLogP2.32
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 82484539
2-methoxy-5-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 82484538
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 98022078
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
3-[5-(azonan-1-yl)-2-methoxyphenyl]-4-methoxyaniline
CID 135254488
2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162486481
4-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
CID 28720191
4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
CID 107209324
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 107209647
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline (CID 96669531) is 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline is COc1cc(N)ccc1-c1nnc(N2CCCCC2)o1.
What is the InChIKey of 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is IQKUMWILGNURHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-9-10(15)5-6-11(12)13-16-17-14(20-13)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,15H2,1H3.
What are the key properties of 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline?
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 274.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 96669531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).