(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

C25H28FN5O6 — CID 25227503

IUPAC(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
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C/CCCNC(=O)/C=C/c3c(C)[nH]c(=O)[nH]c3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-10,12,19H,3,5,11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H2,29,30,34,35)/b6-4+,10-9+/t19-/m0/s1
InChIKeyVTJAEGYPAGKFFC-ORCPCFJVSA-N
MW513.53 g/mol
LogP1.60
Rot. Bonds10

About (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

(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 (PubChem CID 25227503) has the molecular formula C25H28FN5O6 and a molecular weight of 513.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID25227503
Molecular FormulaC25H28FN5O6
Molecular Weight513.53 g/mol
Exact Mass513.20
IUPAC Name(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
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C/CCCNC(=O)/C=C/c3c(C)[nH]c(=O)[nH]c3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-10,12,19H,3,5,11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H2,29,30,34,35)/b6-4+,10-9+/t19-/m0/s1
InChIKeyVTJAEGYPAGKFFC-ORCPCFJVSA-N
XLogP1.60
TPSA153.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)NC[C@H]1CN(c2ccc(/C=C/CCCNC(=O)/C=C/c3c(C)[nH]c(=O)[nH]c3=O)c(F)c2)C(=O)O1.
What is the InChIKey of (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?
The InChIKey is VTJAEGYPAGKFFC-ORCPCFJVSA-N. The full InChI is InChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-10,12,19H,3,5,11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H2,29,30,34,35)/b6-4+,10-9+/t19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 513.53 g/mol, XLogP of 1.60, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 25227503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).