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

C13H22N4O2 — CID 56802846

IUPAC1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C13H22N4O2/c1-10(18)8-16-4-6-17(7-5-16)9-12-14-15-13(19-12)11-2-3-11/h10-11,18H,2-9H2,1H3
InChIKeyXEWJOPJQTSUVTE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds5

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

1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 56802846) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID56802846
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C13H22N4O2/c1-10(18)8-16-4-6-17(7-5-16)9-12-14-15-13(19-12)11-2-3-11/h10-11,18H,2-9H2,1H3
InChIKeyXEWJOPJQTSUVTE-UHFFFAOYSA-N
XLogP0.45
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-Cyclopropyl-5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53591924
2-Cyclopropyl-5-[[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53599369
2-Cyclopropyl-5-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53609476
2-Cyclopropyl-5-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53619904
1-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 53620541
3,3-Dimethyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 53591524
4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56871079
1-Cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 102559230
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95551152
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95551153
3-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 109968200
1-[1-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol (CID 56802846) is 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is XEWJOPJQTSUVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(18)8-16-4-6-17(7-5-16)9-12-14-15-13(19-12)11-2-3-11/h10-11,18H,2-9H2,1H3.
What are the key properties of 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56802846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).