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

C10H18N4O2 — CID 116809557

IUPAC3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCN1CCN(c2noc(CCCO)n2)CC1
InChIInChI=1S/C10H18N4O2/c1-13-4-6-14(7-5-13)10-11-9(16-12-10)3-2-8-15/h15H,2-8H2,1H3
InChIKeyOMBAHFPOGWCNBA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.25
Rot. Bonds4

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

3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 116809557) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID116809557
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCN1CCN(c2noc(CCCO)n2)CC1
InChIInChI=1S/C10H18N4O2/c1-13-4-6-14(7-5-13)10-11-9(16-12-10)3-2-8-15/h15H,2-8H2,1H3
InChIKeyOMBAHFPOGWCNBA-UHFFFAOYSA-N
XLogP-0.25
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106527047
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
3-(4-methylpiperazin-1-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 116807868
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 116808522
2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56710695
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 116809557) is 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CN1CCN(c2noc(CCCO)n2)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is OMBAHFPOGWCNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-13-4-6-14(7-5-13)10-11-9(16-12-10)3-2-8-15/h15H,2-8H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 226.28 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 116809557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).