(2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

C20H21N3O3S — CID 97416737

IUPAC(2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C20H21N3O3S/c1-14(25-17-5-3-2-4-6-17)20(24)23-10-7-15(8-11-23)18-21-22-19(26-18)16-9-12-27-13-16/h2-6,9,12-15H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyBBXLNDXUUCXTAV-AWEZNQCLSA-N
MW383.47 g/mol
LogP3.97
Rot. Bonds5

About (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

(2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 97416737) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID97416737
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C20H21N3O3S/c1-14(25-17-5-3-2-4-6-17)20(24)23-10-7-15(8-11-23)18-21-22-19(26-18)16-9-12-27-13-16/h2-6,9,12-15H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyBBXLNDXUUCXTAV-AWEZNQCLSA-N
XLogP3.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (CID 97416737) is (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is C[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BBXLNDXUUCXTAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(25-17-5-3-2-4-6-17)20(24)23-10-7-15(8-11-23)18-21-22-19(26-18)16-9-12-27-13-16/h2-6,9,12-15H,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
(2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 383.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97416737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).