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

C18H13FN2O3S — CID 17440574

IUPACN-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1
InChIInChI=1S/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-10-20-18(24-15)25-11-16(22)21-17(23)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,23)
InChIKeyQSRDHMUVGVJKPQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.53
Rot. Bonds5

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

N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide (PubChem CID 17440574) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide
PubChem CID17440574
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC NameN-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1
InChIInChI=1S/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-10-20-18(24-15)25-11-16(22)21-17(23)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,23)
InChIKeyQSRDHMUVGVJKPQ-UHFFFAOYSA-N
XLogP3.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide (CID 17440574) is N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide?
The InChIKey is QSRDHMUVGVJKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-10-20-18(24-15)25-11-16(22)21-17(23)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,23).
What are the key properties of N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide?
N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide has a molecular weight of 356.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]benzamide is sourced from PubChem (CID 17440574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).