3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one

C17H16N2O2 — CID 5327636

IUPAC3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(/C=C\c2nc3ccccc3o2)c(=O)[nH]c1C
InChIInChI=1S/C17H16N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-10H,3H2,1-2H3,(H,18,20)/b9-8-
InChIKeyBFGKJNDOSZZLHA-HJWRWDBZSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds3

About 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one

3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 5327636) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID5327636
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(/C=C\c2nc3ccccc3o2)c(=O)[nH]c1C
InChIInChI=1S/C17H16N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-10H,3H2,1-2H3,(H,18,20)/b9-8-
InChIKeyBFGKJNDOSZZLHA-HJWRWDBZSA-N
XLogP3.56
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one (CID 5327636) is 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one is CCc1cc(/C=C\c2nc3ccccc3o2)c(=O)[nH]c1C.
What is the InChIKey of 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is BFGKJNDOSZZLHA-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-10H,3H2,1-2H3,(H,18,20)/b9-8-.
What are the key properties of 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 5327636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).