bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide

C16H12F2N2O2S — CID 24886987

IUPACbis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide
SMILESNS(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ncco1
InChIInChI=1S/C16H12F2N2O2S/c17-13-5-1-11(2-6-13)16(23(19)21,15-20-9-10-22-15)12-3-7-14(18)8-4-12/h1-10H,19H2
InChIKeyOPCFCJABCFAPRJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.87
Rot. Bonds4

About bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide

bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide (PubChem CID 24886987) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide
PubChem CID24886987
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namebis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide
SMILESNS(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ncco1
InChIInChI=1S/C16H12F2N2O2S/c17-13-5-1-11(2-6-13)16(23(19)21,15-20-9-10-22-15)12-3-7-14(18)8-4-12/h1-10H,19H2
InChIKeyOPCFCJABCFAPRJ-UHFFFAOYSA-N
XLogP2.87
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide?
The IUPAC name of bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide (CID 24886987) is bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide.
What is the SMILES notation for bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide?
The canonical SMILES for bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide is NS(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ncco1.
What is the InChIKey of bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide?
The InChIKey is OPCFCJABCFAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c17-13-5-1-11(2-6-13)16(23(19)21,15-20-9-10-22-15)12-3-7-14(18)8-4-12/h1-10H,19H2.
What are the key properties of bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide?
bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide has a molecular weight of 334.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(1,3-oxazol-2-yl)methanesulfinamide is sourced from PubChem (CID 24886987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).