(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol

C15H22N4O2S — CID 95312496

IUPAC(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](c1nnc(-c2cccs2)o1)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C15H22N4O2S/c1-11(20)10-18-5-7-19(8-6-18)12(2)14-16-17-15(21-14)13-4-3-9-22-13/h3-4,9,11-12,20H,5-8,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyDULITBHIBCMCMA-VXGBXAGGSA-N
MW322.43 g/mol
LogP1.86
Rot. Bonds5

About (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol (PubChem CID 95312496) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
PubChem CID95312496
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](c1nnc(-c2cccs2)o1)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C15H22N4O2S/c1-11(20)10-18-5-7-19(8-6-18)12(2)14-16-17-15(21-14)13-4-3-9-22-13/h3-4,9,11-12,20H,5-8,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyDULITBHIBCMCMA-VXGBXAGGSA-N
XLogP1.86
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
2-[(1R)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9047168
1-morpholin-4-yl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 30955766
N-phenyl-2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]acetamide
CID 55516747
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 55470954
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758
1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
2-[(1R)-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97089717
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
(2R)-N-cyclopropyl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 51928787
(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 36876738

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol (CID 95312496) is (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol is C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is DULITBHIBCMCMA-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11(20)10-18-5-7-19(8-6-18)12(2)14-16-17-15(21-14)13-4-3-9-22-13/h3-4,9,11-12,20H,5-8,10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 322.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95312496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).