sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride

C16H16FN2NaO3S2 — CID 173080381

IUPACsodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride
SMILESCS(=O)(=O)NCCc1nc(-c2ccc(F)cc2)oc1-c1ccsc1.[H-].[Na+]
InChIInChI=1S/C16H15FN2O3S2.Na.H/c1-24(20,21)18-8-6-14-15(12-7-9-23-10-12)22-16(19-14)11-2-4-13(17)5-3-11;;/h2-5,7,9-10,18H,6,8H2,1H3;;/q;+1;-1
InChIKeyMRBPWFCOAMPZPV-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.42
Rot. Bonds6

About sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride

sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride (PubChem CID 173080381) has the molecular formula C16H16FN2NaO3S2 and a molecular weight of 390.44 g/mol. Its IUPAC name is sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride.

Molecular Properties

Compound Namesodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride
PubChem CID173080381
Molecular FormulaC16H16FN2NaO3S2
Molecular Weight390.44 g/mol
Exact Mass390.05
IUPAC Namesodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride
SMILESCS(=O)(=O)NCCc1nc(-c2ccc(F)cc2)oc1-c1ccsc1.[H-].[Na+]
InChIInChI=1S/C16H15FN2O3S2.Na.H/c1-24(20,21)18-8-6-14-15(12-7-9-23-10-12)22-16(19-14)11-2-4-13(17)5-3-11;;/h2-5,7,9-10,18H,6,8H2,1H3;;/q;+1;-1
InChIKeyMRBPWFCOAMPZPV-UHFFFAOYSA-N
XLogP0.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride?
The IUPAC name of sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride (CID 173080381) is sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride.
What is the SMILES notation for sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride?
The canonical SMILES for sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride is CS(=O)(=O)NCCc1nc(-c2ccc(F)cc2)oc1-c1ccsc1.[H-].[Na+].
What is the InChIKey of sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride?
The InChIKey is MRBPWFCOAMPZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S2.Na.H/c1-24(20,21)18-8-6-14-15(12-7-9-23-10-12)22-16(19-14)11-2-4-13(17)5-3-11;;/h2-5,7,9-10,18H,6,8H2,1H3;;/q;+1;-1.
What are the key properties of sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride?
sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride has a molecular weight of 390.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride is sourced from PubChem (CID 173080381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).