6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide

C23H26ClF3N2O5 — CID 155717287

IUPAC6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC=C(CC(C)NC(=O)C1CCc2cc(Cl)ccc2O1)N1CC(C2CC(OC(F)(F)F)C2)OC1=O
InChIInChI=1S/C23H26ClF3N2O5/c1-12(28-21(30)19-5-3-14-8-16(24)4-6-18(14)32-19)7-13(2)29-11-20(33-22(29)31)15-9-17(10-15)34-23(25,26)27/h4,6,8,12,15,17,19-20H,2-3,5,7,9-11H2,1H3,(H,28,30)
InChIKeyKQPJJPUJSHYFND-UHFFFAOYSA-N
MW502.92 g/mol
LogP4.58
Rot. Bonds7

About 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide

6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155717287) has the molecular formula C23H26ClF3N2O5 and a molecular weight of 502.92 g/mol. Its IUPAC name is 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155717287
Molecular FormulaC23H26ClF3N2O5
Molecular Weight502.92 g/mol
Exact Mass502.15
IUPAC Name6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESC=C(CC(C)NC(=O)C1CCc2cc(Cl)ccc2O1)N1CC(C2CC(OC(F)(F)F)C2)OC1=O
InChIInChI=1S/C23H26ClF3N2O5/c1-12(28-21(30)19-5-3-14-8-16(24)4-6-18(14)32-19)7-13(2)29-11-20(33-22(29)31)15-9-17(10-15)34-23(25,26)27/h4,6,8,12,15,17,19-20H,2-3,5,7,9-11H2,1H3,(H,28,30)
InChIKeyKQPJJPUJSHYFND-UHFFFAOYSA-N
XLogP4.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155717287) is 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide is C=C(CC(C)NC(=O)C1CCc2cc(Cl)ccc2O1)N1CC(C2CC(OC(F)(F)F)C2)OC1=O.
What is the InChIKey of 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is KQPJJPUJSHYFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N2O5/c1-12(28-21(30)19-5-3-14-8-16(24)4-6-18(14)32-19)7-13(2)29-11-20(33-22(29)31)15-9-17(10-15)34-23(25,26)27/h4,6,8,12,15,17,19-20H,2-3,5,7,9-11H2,1H3,(H,28,30).
What are the key properties of 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 502.92 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155717287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).