4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine

C14H18N4O — CID 117399587

IUPAC4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESCN1CCN(c2ccccc2-c2cnoc2N)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)13-5-3-2-4-11(13)12-10-16-19-14(12)15/h2-5,10H,6-9,15H2,1H3
InChIKeyXPHPLEZDWGBBMW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.68
Rot. Bonds2

About 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine

4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117399587) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117399587
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESCN1CCN(c2ccccc2-c2cnoc2N)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)13-5-3-2-4-11(13)12-10-16-19-14(12)15/h2-5,10H,6-9,15H2,1H3
InChIKeyXPHPLEZDWGBBMW-UHFFFAOYSA-N
XLogP1.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine (CID 117399587) is 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine is CN1CCN(c2ccccc2-c2cnoc2N)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is XPHPLEZDWGBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)13-5-3-2-4-11(13)12-10-16-19-14(12)15/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine?
4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117399587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).