1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one

C20H14F4N2O2 — CID 142695502

IUPAC1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESC=C(C)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(/C(F)=C(/C)F)o1
InChIInChI=1S/C20H14F4N2O2/c1-10(2)20-25-17(19(28-20)16(24)11(3)21)12-7-8-15(27)26(9-12)18-13(22)5-4-6-14(18)23/h4-9H,1H2,2-3H3/b16-11+
InChIKeyYCRVBLXMBDEWCT-LFIBNONCSA-N
MW390.34 g/mol
LogP5.43
Rot. Bonds4

About 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 142695502) has the molecular formula C20H14F4N2O2 and a molecular weight of 390.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID142695502
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
SMILESC=C(C)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(/C(F)=C(/C)F)o1
InChIInChI=1S/C20H14F4N2O2/c1-10(2)20-25-17(19(28-20)16(24)11(3)21)12-7-8-15(27)26(9-12)18-13(22)5-4-6-14(18)23/h4-9H,1H2,2-3H3/b16-11+
InChIKeyYCRVBLXMBDEWCT-LFIBNONCSA-N
XLogP5.43
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one with MolForge

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Related Compounds

1-(2,6-Difluorophenyl)-5-[5-(4-fluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one
CID 67254933
1-(2,6-Difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one
CID 67254934
1-(2,6-Difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-methylprop-1-enyl)-1,3-oxazol-4-yl]pyridin-2-one
CID 67255019
1-(2,6-Difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-propanoyl-1,3-oxazol-5-yl]pyridin-2-one
CID 67256069
5-[2-Acetyl-4-(2,4-difluorophenyl)-1,3-oxazol-5-yl]-1-(2,6-difluorophenyl)pyridin-2-one
CID 67256374
5-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-[1-(2,6-difluorophenyl)-6-methylidene-3-pyridinyl]-2-piperidin-4-yl-1,3-oxazole
CID 143227485
N-(4-fluorophenyl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydro-1,3-benzoxazol-7-amine
CID 178040063
4-fluoroaniline;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 178040495

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one (CID 142695502) is 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one is C=C(C)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(/C(F)=C(/C)F)o1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is YCRVBLXMBDEWCT-LFIBNONCSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c1-10(2)20-25-17(19(28-20)16(24)11(3)21)12-7-8-15(27)26(9-12)18-13(22)5-4-6-14(18)23/h4-9H,1H2,2-3H3/b16-11+.
What are the key properties of 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 390.34 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[5-[(E)-1,2-difluoroprop-1-enyl]-2-prop-1-en-2-yl-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 142695502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).