N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

C17H16F3N3O5 — CID 22181866

IUPACN-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C17H16F3N3O5/c1-2-14(24)21-8-11-9-23(16(26)28-11)10-3-4-13(12(7-10)17(18,19)20)22-5-6-27-15(22)25/h2-4,7,11H,1,5-6,8-9H2,(H,21,24)
InChIKeyBYKUXOPPKXTQRJ-UHFFFAOYSA-N
MW399.33 g/mol
LogP2.29
Rot. Bonds5

About N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide (PubChem CID 22181866) has the molecular formula C17H16F3N3O5 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
PubChem CID22181866
Molecular FormulaC17H16F3N3O5
Molecular Weight399.33 g/mol
Exact Mass399.10
IUPAC NameN-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C17H16F3N3O5/c1-2-14(24)21-8-11-9-23(16(26)28-11)10-3-4-13(12(7-10)17(18,19)20)22-5-6-27-15(22)25/h2-4,7,11H,1,5-6,8-9H2,(H,21,24)
InChIKeyBYKUXOPPKXTQRJ-UHFFFAOYSA-N
XLogP2.29
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 159784421
methyl-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamothioic S-acid
CID 21026141
[3-[3-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 21026244
N-[[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]prop-2-enamide
CID 172543060
5-chloro-N-[[3-[3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 118150777
N-[[(5S)-3-[3-fluoro-4-(2-sulfanylidene-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58619730
(5R)-5-(aminomethyl)-3-[4-(3-hydroxyazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 141498343
1-methyl-3-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiourea
CID 10291524
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16921978
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575

Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide (CID 22181866) is N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide is C=CC(=O)NCC1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?
The InChIKey is BYKUXOPPKXTQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O5/c1-2-14(24)21-8-11-9-23(16(26)28-11)10-3-4-13(12(7-10)17(18,19)20)22-5-6-27-15(22)25/h2-4,7,11H,1,5-6,8-9H2,(H,21,24).
What are the key properties of N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?
N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide has a molecular weight of 399.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide is sourced from PubChem (CID 22181866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).