3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one

C18H18N2O3S — CID 71786887

IUPAC3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC(c2cccs2)CC1
InChIInChI=1S/C18H18N2O3S/c21-17(12-20-14-4-1-2-5-15(14)23-18(20)22)19-9-7-13(8-10-19)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2
InChIKeyASLBIMCSKYYYNE-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.06
Rot. Bonds3

About 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 71786887) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID71786887
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCC(c2cccs2)CC1
InChIInChI=1S/C18H18N2O3S/c21-17(12-20-14-4-1-2-5-15(14)23-18(20)22)19-9-7-13(8-10-19)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2
InChIKeyASLBIMCSKYYYNE-UHFFFAOYSA-N
XLogP3.06
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522652
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 121191958
3-cyclopropyl-1-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 126852915
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122279444
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
3-[2-oxo-2-[(2R)-2-pyridin-4-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 124990788
3-[4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 9022789
3-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 31605213

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one (CID 71786887) is 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2cccs2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is ASLBIMCSKYYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(12-20-14-4-1-2-5-15(14)23-18(20)22)19-9-7-13(8-10-19)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 342.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 71786887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).