(5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C15H16F2N2O4S — CID 23729989

IUPAC(5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16F2N2O4S/c16-10-5-9(19-7-12(14(18)20)23-15(19)21)6-11(17)13(10)8-1-3-24(22)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t8?,12-,24?/m1/s1
InChIKeyLZAQUCAGBQIHCU-SYLHBVNRSA-N
MW358.37 g/mol
LogP1.40
Rot. Bonds3

About (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 23729989) has the molecular formula C15H16F2N2O4S and a molecular weight of 358.37 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID23729989
Molecular FormulaC15H16F2N2O4S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name(5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16F2N2O4S/c16-10-5-9(19-7-12(14(18)20)23-15(19)21)6-11(17)13(10)8-1-3-24(22)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t8?,12-,24?/m1/s1
InChIKeyLZAQUCAGBQIHCU-SYLHBVNRSA-N
XLogP1.40
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 23729989) is (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is LZAQUCAGBQIHCU-SYLHBVNRSA-N. The full InChI is InChI=1S/C15H16F2N2O4S/c16-10-5-9(19-7-12(14(18)20)23-15(19)21)6-11(17)13(10)8-1-3-24(22)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t8?,12-,24?/m1/s1.
What are the key properties of (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3,5-difluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 23729989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).