3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine

C14H18N4O — CID 117399583

IUPAC3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CN3CCNCC3)cc2)no1
InChIInChI=1S/C14H18N4O/c15-14-9-13(17-19-14)12-3-1-11(2-4-12)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10,15H2
InChIKeyJTPJTLQRRJBXHR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.33
Rot. Bonds3

About 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine

3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117399583) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117399583
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CN3CCNCC3)cc2)no1
InChIInChI=1S/C14H18N4O/c15-14-9-13(17-19-14)12-3-1-11(2-4-12)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10,15H2
InChIKeyJTPJTLQRRJBXHR-UHFFFAOYSA-N
XLogP1.33
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine (CID 117399583) is 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(CN3CCNCC3)cc2)no1.
What is the InChIKey of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is JTPJTLQRRJBXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-14-9-13(17-19-14)12-3-1-11(2-4-12)10-18-7-5-16-6-8-18/h1-4,9,16H,5-8,10,15H2.
What are the key properties of 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine?
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117399583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).