2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C17H26N6O2 — CID 95280329

IUPAC2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C17H26N6O2/c1-11(2)15-18-16(25-21-15)12(3)23-8-6-22(7-9-23)10-14-19-20-17(24-14)13-4-5-13/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyPXBHEEYZSNCRHU-GFCCVEGCSA-N
MW346.44 g/mol
LogP2.33
Rot. Bonds6

About 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95280329) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95280329
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C17H26N6O2/c1-11(2)15-18-16(25-21-15)12(3)23-8-6-22(7-9-23)10-14-19-20-17(24-14)13-4-5-13/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyPXBHEEYZSNCRHU-GFCCVEGCSA-N
XLogP2.33
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 95280329) is 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is CC(C)c1noc([C@@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is PXBHEEYZSNCRHU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)15-18-16(25-21-15)12(3)23-8-6-22(7-9-23)10-14-19-20-17(24-14)13-4-5-13/h11-13H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 346.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95280329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).