5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine

C14H17N3O — CID 117360352

IUPAC5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(C3CCNCC3)c2)on1
InChIInChI=1S/C14H17N3O/c15-14-9-13(18-17-14)12-3-1-2-11(8-12)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H2,15,17)
InChIKeyKTEOFSJOGWJCBJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds2

About 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine

5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 117360352) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
PubChem CID117360352
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(C3CCNCC3)c2)on1
InChIInChI=1S/C14H17N3O/c15-14-9-13(18-17-14)12-3-1-2-11(8-12)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H2,15,17)
InChIKeyKTEOFSJOGWJCBJ-UHFFFAOYSA-N
XLogP2.39
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
4-(3-phenylphenyl)piperidine
CID 54258001
2-(3-piperidin-4-ylphenyl)pyrimidine
CID 91370651
5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1,2-oxazol-3-amine
CID 117419702
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
CID 117360425
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
4-(3-nitrosophenyl)piperidine
CID 142849133
5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117447033
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117330160

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine (CID 117360352) is 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine is Nc1cc(-c2cccc(C3CCNCC3)c2)on1.
What is the InChIKey of 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is KTEOFSJOGWJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-9-13(18-17-14)12-3-1-2-11(8-12)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H2,15,17).
What are the key properties of 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine?
5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117360352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).