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

C15H17FN2O4S — CID 23729988

IUPAC(5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
InChIKeyBHMSJQPFCDTTCI-NYGWOBCZSA-N
MW340.38 g/mol
LogP1.26
Rot. Bonds3

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

(5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 23729988) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID23729988
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name(5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
InChIKeyBHMSJQPFCDTTCI-NYGWOBCZSA-N
XLogP1.26
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 23729988) is (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is BHMSJQPFCDTTCI-NYGWOBCZSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 23729988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).