2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate

C27H24N2O5 — CID 170406800

IUPAC2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(=O)OC(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C1=O
InChIInChI=1S/C27H24N2O5/c1-2-25(30)33-18-17-28-26(31)24(34-27(28)32)19-20-13-15-23(16-14-20)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-16,24H,1,17-19H2
InChIKeyJVZUAWQUSQHYNW-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.78
Rot. Bonds9

About 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate

2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate (PubChem CID 170406800) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate
PubChem CID170406800
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(=O)OC(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C1=O
InChIInChI=1S/C27H24N2O5/c1-2-25(30)33-18-17-28-26(31)24(34-27(28)32)19-20-13-15-23(16-14-20)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-16,24H,1,17-19H2
InChIKeyJVZUAWQUSQHYNW-UHFFFAOYSA-N
XLogP4.78
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate?
The IUPAC name of 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate (CID 170406800) is 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate?
The canonical SMILES for 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate is C=CC(=O)OCCN1C(=O)OC(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate?
The InChIKey is JVZUAWQUSQHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-2-25(30)33-18-17-28-26(31)24(34-27(28)32)19-20-13-15-23(16-14-20)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-16,24H,1,17-19H2.
What are the key properties of 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate?
2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate has a molecular weight of 456.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-5-[[4-(N-phenylanilino)phenyl]methyl]-1,3-oxazolidin-3-yl]ethyl prop-2-enoate is sourced from PubChem (CID 170406800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).