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

C14H17N3O — CID 117360425

IUPAC3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(C3CCNCC3)cc2)no1
InChIInChI=1S/C14H17N3O/c15-14-9-13(17-18-14)12-3-1-10(2-4-12)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,15H2
InChIKeySIRZHUGTOBXCFZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds2

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

3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117360425) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117360425
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(C3CCNCC3)cc2)no1
InChIInChI=1S/C14H17N3O/c15-14-9-13(17-18-14)12-3-1-10(2-4-12)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,15H2
InChIKeySIRZHUGTOBXCFZ-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine (CID 117360425) is 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(C3CCNCC3)cc2)no1.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is SIRZHUGTOBXCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-9-13(17-18-14)12-3-1-10(2-4-12)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,15H2.
What are the key properties of 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine?
3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-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 3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117360425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).