[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane

C11H21N4OP — CID 58367840

IUPAC[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane
SMILESCc1noc(N2C(C)C(C)N(P)C(C)C2C)n1
InChIInChI=1S/C11H21N4OP/c1-6-8(3)15(17)9(4)7(2)14(6)11-12-10(5)13-16-11/h6-9H,17H2,1-5H3
InChIKeyKNQABFVTOFAUMO-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.84
Rot. Bonds1

About [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane

[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane (PubChem CID 58367840) has the molecular formula C11H21N4OP and a molecular weight of 256.29 g/mol. Its IUPAC name is [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane.

Molecular Properties

Compound Name[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane
PubChem CID58367840
Molecular FormulaC11H21N4OP
Molecular Weight256.29 g/mol
Exact Mass256.15
IUPAC Name[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane
SMILESCc1noc(N2C(C)C(C)N(P)C(C)C2C)n1
InChIInChI=1S/C11H21N4OP/c1-6-8(3)15(17)9(4)7(2)14(6)11-12-10(5)13-16-11/h6-9H,17H2,1-5H3
InChIKeyKNQABFVTOFAUMO-UHFFFAOYSA-N
XLogP1.84
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane?
The IUPAC name of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane (CID 58367840) is [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane.
What is the SMILES notation for [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane?
The canonical SMILES for [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane is Cc1noc(N2C(C)C(C)N(P)C(C)C2C)n1.
What is the InChIKey of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane?
The InChIKey is KNQABFVTOFAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N4OP/c1-6-8(3)15(17)9(4)7(2)14(6)11-12-10(5)13-16-11/h6-9H,17H2,1-5H3.
What are the key properties of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane?
[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane has a molecular weight of 256.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]phosphane is sourced from PubChem (CID 58367840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).