(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C15H16F2N2O5S — CID 10126362

IUPAC(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16F2N2O5S/c16-10-5-9(19-7-12(14(18)20)24-15(19)21)6-11(17)13(10)8-1-3-25(22,23)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t12-/m1/s1
InChIKeyDVKCMVHWAKOYLN-GFCCVEGCSA-N
MW374.37 g/mol
LogP1.07
Rot. Bonds3

About (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 10126362) has the molecular formula C15H16F2N2O5S and a molecular weight of 374.37 g/mol. Its IUPAC name is (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID10126362
Molecular FormulaC15H16F2N2O5S
Molecular Weight374.37 g/mol
Exact Mass374.07
IUPAC Name(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16F2N2O5S/c16-10-5-9(19-7-12(14(18)20)24-15(19)21)6-11(17)13(10)8-1-3-25(22,23)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t12-/m1/s1
InChIKeyDVKCMVHWAKOYLN-GFCCVEGCSA-N
XLogP1.07
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 10126362) is (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is DVKCMVHWAKOYLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F2N2O5S/c16-10-5-9(19-7-12(14(18)20)24-15(19)21)6-11(17)13(10)8-1-3-25(22,23)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t12-/m1/s1.
What are the key properties of (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 10126362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).