3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one

C18H18N2O2 — CID 10469706

IUPAC3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(/C=C/Cc2nc3ccccc3o2)c(=O)[nH]c1C
InChIInChI=1S/C18H18N2O2/c1-3-13-11-14(18(21)19-12(13)2)7-6-10-17-20-15-8-4-5-9-16(15)22-17/h4-9,11H,3,10H2,1-2H3,(H,19,21)/b7-6+
InChIKeyAEUSETHPHJLJMM-VOTSOKGWSA-N
MW294.35 g/mol
LogP3.64
Rot. Bonds4

About 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one

3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 10469706) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID10469706
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(/C=C/Cc2nc3ccccc3o2)c(=O)[nH]c1C
InChIInChI=1S/C18H18N2O2/c1-3-13-11-14(18(21)19-12(13)2)7-6-10-17-20-15-8-4-5-9-16(15)22-17/h4-9,11H,3,10H2,1-2H3,(H,19,21)/b7-6+
InChIKeyAEUSETHPHJLJMM-VOTSOKGWSA-N
XLogP3.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one (CID 10469706) is 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one is CCc1cc(/C=C/Cc2nc3ccccc3o2)c(=O)[nH]c1C.
What is the InChIKey of 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is AEUSETHPHJLJMM-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-13-11-14(18(21)19-12(13)2)7-6-10-17-20-15-8-4-5-9-16(15)22-17/h4-9,11H,3,10H2,1-2H3,(H,19,21)/b7-6+.
What are the key properties of 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one?
3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 10469706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).