(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate

C15H16N2O4 — CID 23831647

IUPAC(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cccc2ocnc12
InChIInChI=1S/C15H16N2O4/c18-13(17-7-2-1-3-8-17)9-20-15(19)11-5-4-6-12-14(11)16-10-21-12/h4-6,10H,1-3,7-9H2
InChIKeyQBIVYFTUKYNFNB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.00
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate (PubChem CID 23831647) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate
PubChem CID23831647
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cccc2ocnc12
InChIInChI=1S/C15H16N2O4/c18-13(17-7-2-1-3-8-17)9-20-15(19)11-5-4-6-12-14(11)16-10-21-12/h4-6,10H,1-3,7-9H2
InChIKeyQBIVYFTUKYNFNB-UHFFFAOYSA-N
XLogP2.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23887831
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23859997
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methylsulfonylbenzoate
CID 7725460
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate
CID 23773584
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate
CID 16515105
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
(2-oxo-2-pyrrolidin-1-ylethyl) 3-methyl-2-nitrobenzoate
CID 84602215
[2-(azepan-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2433745

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate (CID 23831647) is (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cccc2ocnc12.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate?
The InChIKey is QBIVYFTUKYNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(17-7-2-1-3-8-17)9-20-15(19)11-5-4-6-12-14(11)16-10-21-12/h4-6,10H,1-3,7-9H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 23831647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).