N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide

C17H12F2N2O2S — CID 46678654

IUPACN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(F)c1
InChIInChI=1S/C17H12F2N2O2S/c18-12-6-4-11(5-7-12)15-9-20-17(23-15)24-10-16(22)21-14-3-1-2-13(19)8-14/h1-9H,10H2,(H,21,22)
InChIKeyQAYPVIFHTVWBEF-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.35
Rot. Bonds5

About N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide

N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 46678654) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID46678654
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(F)c1
InChIInChI=1S/C17H12F2N2O2S/c18-12-6-4-11(5-7-12)15-9-20-17(23-15)24-10-16(22)21-14-3-1-2-13(19)8-14/h1-9H,10H2,(H,21,22)
InChIKeyQAYPVIFHTVWBEF-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 46678654) is N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is QAYPVIFHTVWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-12-6-4-11(5-7-12)15-9-20-17(23-15)24-10-16(22)21-14-3-1-2-13(19)8-14/h1-9H,10H2,(H,21,22).
What are the key properties of N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46678654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).