2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol

C13H23N3O2 — CID 115087463

IUPAC2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(CCN2CCN(C)CC2)o1
InChIInChI=1S/C13H23N3O2/c1-11(10-17)12-9-14-13(18-12)3-4-16-7-5-15(2)6-8-16/h9,11,17H,3-8,10H2,1-2H3
InChIKeyHLQGYXUVERTOHI-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds5

About 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol

2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol (PubChem CID 115087463) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol
PubChem CID115087463
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(CCN2CCN(C)CC2)o1
InChIInChI=1S/C13H23N3O2/c1-11(10-17)12-9-14-13(18-12)3-4-16-7-5-15(2)6-8-16/h9,11,17H,3-8,10H2,1-2H3
InChIKeyHLQGYXUVERTOHI-UHFFFAOYSA-N
XLogP0.56
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol (CID 115087463) is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol is CC(CO)c1cnc(CCN2CCN(C)CC2)o1.
What is the InChIKey of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol?
The InChIKey is HLQGYXUVERTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(10-17)12-9-14-13(18-12)3-4-16-7-5-15(2)6-8-16/h9,11,17H,3-8,10H2,1-2H3.
What are the key properties of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol?
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 115087463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).