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

C19H17FN2O2S — CID 50773520

IUPACN-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCCc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O2S/c1-2-13-4-3-5-16(10-13)22-18(23)12-25-19-21-11-17(24-19)14-6-8-15(20)9-7-14/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyZHDIGOYWDGPHCZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.77
Rot. Bonds6

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

N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 50773520) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID50773520
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCCc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O2S/c1-2-13-4-3-5-16(10-13)22-18(23)12-25-19-21-11-17(24-19)14-6-8-15(20)9-7-14/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyZHDIGOYWDGPHCZ-UHFFFAOYSA-N
XLogP4.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 50773520) is N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is CCc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZHDIGOYWDGPHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-13-4-3-5-16(10-13)22-18(23)12-25-19-21-11-17(24-19)14-6-8-15(20)9-7-14/h3-11H,2,12H2,1H3,(H,22,23).
What are the key properties of N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 50773520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).