ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate

C19H16FNO3S — CID 55495833

IUPACethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate
SMILESCCOC(=O)C(Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C19H16FNO3S/c1-2-23-18(22)17(14-6-4-3-5-7-14)25-19-21-12-16(24-19)13-8-10-15(20)11-9-13/h3-12,17H,2H2,1H3
InChIKeyNMNDJBWEKQUNFS-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds6

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

ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate (PubChem CID 55495833) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate
PubChem CID55495833
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Nameethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate
SMILESCCOC(=O)C(Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C19H16FNO3S/c1-2-23-18(22)17(14-6-4-3-5-7-14)25-19-21-12-16(24-19)13-8-10-15(20)11-9-13/h3-12,17H,2H2,1H3
InChIKeyNMNDJBWEKQUNFS-UHFFFAOYSA-N
XLogP4.88
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16110633
CID 16110633
CID 16110639
CID 16110639
CID 16110644
CID 16110644
CID 16110645
CID 16110645
CID 86271184
CID 86271184
CID 1477779
CID 1477779
CID 2737480
CID 2737480
CID 2744286
CID 2744286
CID 16603643
CID 16603643
CID 27371426
CID 27371426
CID 27371427
CID 27371427
CID 27371432
CID 27371432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate?
The IUPAC name of ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate (CID 55495833) is ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate is CCOC(=O)C(Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate?
The InChIKey is NMNDJBWEKQUNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-2-23-18(22)17(14-6-4-3-5-7-14)25-19-21-12-16(24-19)13-8-10-15(20)11-9-13/h3-12,17H,2H2,1H3.
What are the key properties of ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate?
ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate has a molecular weight of 357.41 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-phenylacetate is sourced from PubChem (CID 55495833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).