3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine

C16H21N3O — CID 117431597

IUPAC3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CCN3CCCCC3)cc2)no1
InChIInChI=1S/C16H21N3O/c17-16-12-15(18-20-16)14-6-4-13(5-7-14)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11,17H2
InChIKeyWLKZSIVXKLTWFW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds4

About 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine

3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117431597) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117431597
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CCN3CCCCC3)cc2)no1
InChIInChI=1S/C16H21N3O/c17-16-12-15(18-20-16)14-6-4-13(5-7-14)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11,17H2
InChIKeyWLKZSIVXKLTWFW-UHFFFAOYSA-N
XLogP2.95
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine (CID 117431597) is 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(CCN3CCCCC3)cc2)no1.
What is the InChIKey of 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is WLKZSIVXKLTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16-12-15(18-20-16)14-6-4-13(5-7-14)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11,17H2.
What are the key properties of 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine?
3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 271.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-piperidin-1-ylethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117431597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).