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

C19H17ClFN3O5S — CID 118150777

IUPAC5-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
SMILESO=C(NCC1CN(c2ccc(N3CCCOC3=O)c(F)c2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H17ClFN3O5S/c20-16-5-4-15(30-16)17(25)22-9-12-10-24(19(27)29-12)11-2-3-14(13(21)8-11)23-6-1-7-28-18(23)26/h2-5,8,12H,1,6-7,9-10H2,(H,22,25)
InChIKeyDIPQIMGGSJKTRC-UHFFFAOYSA-N
MW453.88 g/mol
LogP3.64
Rot. Bonds5

About 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

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 (PubChem CID 118150777) has the molecular formula C19H17ClFN3O5S and a molecular weight of 453.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID118150777
Molecular FormulaC19H17ClFN3O5S
Molecular Weight453.88 g/mol
Exact Mass453.06
IUPAC Name5-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
SMILESO=C(NCC1CN(c2ccc(N3CCCOC3=O)c(F)c2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H17ClFN3O5S/c20-16-5-4-15(30-16)17(25)22-9-12-10-24(19(27)29-12)11-2-3-14(13(21)8-11)23-6-1-7-28-18(23)26/h2-5,8,12H,1,6-7,9-10H2,(H,22,25)
InChIKeyDIPQIMGGSJKTRC-UHFFFAOYSA-N
XLogP3.64
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCC1CN(c2ccc(N3CCCOC3=O)c(F)c2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 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?
The InChIKey is DIPQIMGGSJKTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O5S/c20-16-5-4-15(30-16)17(25)22-9-12-10-24(19(27)29-12)11-2-3-14(13(21)8-11)23-6-1-7-28-18(23)26/h2-5,8,12H,1,6-7,9-10H2,(H,22,25).
What are the key properties of 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?
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 has a molecular weight of 453.88 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118150777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).