N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide

C17H19N3O4 — CID 166406072

IUPACN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1
InChIInChI=1S/C17H19N3O4/c1-2-15(21)18-12-6-7-14-13(10-12)20(17(23)24-14)11-16(22)19-8-4-3-5-9-19/h2,6-7,10H,1,3-5,8-9,11H2,(H,18,21)
InChIKeyGYQZCLGBMZZPIV-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.73
Rot. Bonds4

About N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide

N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide (PubChem CID 166406072) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
PubChem CID166406072
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1
InChIInChI=1S/C17H19N3O4/c1-2-15(21)18-12-6-7-14-13(10-12)20(17(23)24-14)11-16(22)19-8-4-3-5-9-19/h2,6-7,10H,1,3-5,8-9,11H2,(H,18,21)
InChIKeyGYQZCLGBMZZPIV-UHFFFAOYSA-N
XLogP1.73
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
CID 167968453
4-oxo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
CID 167944355
2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide
CID 167749710
4-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 167925866
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 167789866
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
CID 167826598
3,5-dimethoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1,2-thiazole-4-carboxamide
CID 167919342
4-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 167786688
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 167981360
5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
CID 167936040
5-bromo-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4-phenyl-1H-pyrazole-3-carboxamide
CID 167936087
6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
CID 167772413

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide?
The IUPAC name of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide (CID 166406072) is N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1.
What is the InChIKey of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide?
The InChIKey is GYQZCLGBMZZPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-15(21)18-12-6-7-14-13(10-12)20(17(23)24-14)11-16(22)19-8-4-3-5-9-19/h2,6-7,10H,1,3-5,8-9,11H2,(H,18,21).
What are the key properties of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide?
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166406072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).