[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

C15H18N4O3 — CID 146103961

IUPAC[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCN1CCN(C(=O)c2nnc(-c3ccccc3)o2)CC1CO
InChIInChI=1S/C15H18N4O3/c1-18-7-8-19(9-12(18)10-20)15(21)14-17-16-13(22-14)11-5-3-2-4-6-11/h2-6,12,20H,7-10H2,1H3
InChIKeyORGSIGVUNXOLQC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.49
Rot. Bonds3

About [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 146103961) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID146103961
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCN1CCN(C(=O)c2nnc(-c3ccccc3)o2)CC1CO
InChIInChI=1S/C15H18N4O3/c1-18-7-8-19(9-12(18)10-20)15(21)14-17-16-13(22-14)11-5-3-2-4-6-11/h2-6,12,20H,7-10H2,1H3
InChIKeyORGSIGVUNXOLQC-UHFFFAOYSA-N
XLogP0.49
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
(3-benzyl-4-methylpiperazin-1-yl)-[5-(1,2-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 167940100
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 77082052
1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazin-1-yl]ethanone
CID 110392615
[3-[4-(methylaminomethyl)phenyl]sulfanylazetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride
CID 66656090
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110392676
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (CID 146103961) is [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is CN1CCN(C(=O)c2nnc(-c3ccccc3)o2)CC1CO.
What is the InChIKey of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is ORGSIGVUNXOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-7-8-19(9-12(18)10-20)15(21)14-17-16-13(22-14)11-5-3-2-4-6-11/h2-6,12,20H,7-10H2,1H3.
What are the key properties of [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 146103961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).