(E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide

C19H16F2N2O3 — CID 47068206

IUPAC(E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H16F2N2O3/c20-16-5-2-6-17(21)15(16)7-8-18(24)22-12-13-3-1-4-14(11-13)23-9-10-26-19(23)25/h1-8,11H,9-10,12H2,(H,22,24)/b8-7+
InChIKeyPHJRGYSHOQTQJN-BQYQJAHWSA-N
MW358.34 g/mol
LogP3.25
Rot. Bonds5

About (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide (PubChem CID 47068206) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
PubChem CID47068206
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H16F2N2O3/c20-16-5-2-6-17(21)15(16)7-8-18(24)22-12-13-3-1-4-14(11-13)23-9-10-26-19(23)25/h1-8,11H,9-10,12H2,(H,22,24)/b8-7+
InChIKeyPHJRGYSHOQTQJN-BQYQJAHWSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
(E)-N-[(E)-5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pent-4-enyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 25227503
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
(E)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 10292658
Cinnamamide, N-(2-hydroxyethyl)-, phenylcarbamate
CID 1715058
2-cyano-N-(2-fluorophenyl)-3-[2-(morpholin-4-yl)-3-(phenylmethylidene)cyclopent-1-en-1-yl]prop-2-enamide
CID 2318228
2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 9547750
(E)-3-[(3Z)-3-benzal-2-morpholino-cyclopenten-1-yl]-2-cyano-N-(2-fluorophenyl)acrylamide
CID 15945023
1-Benzyl-5-[(2-fluoroanilino)methyl]pyridin-2-one
CID 137634106
N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10203140
(S)-N-[3-(4-Fluoro-8,9-dihydro-7H-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 44418415

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide (CID 47068206) is (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1c(F)cccc1F)NCc1cccc(N2CCOC2=O)c1.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is PHJRGYSHOQTQJN-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-16-5-2-6-17(21)15(16)7-8-18(24)22-12-13-3-1-4-14(11-13)23-9-10-26-19(23)25/h1-8,11H,9-10,12H2,(H,22,24)/b8-7+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 358.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 47068206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).