methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate

C15H16FNO3S — CID 75380413

IUPACmethyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate
SMILESCCc1cnc(CSCc2ccc(C(=O)OC)c(F)c2)o1
InChIInChI=1S/C15H16FNO3S/c1-3-11-7-17-14(20-11)9-21-8-10-4-5-12(13(16)6-10)15(18)19-2/h4-7H,3,8-9H2,1-2H3
InChIKeyIEHHZAZZODGNQW-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.60
Rot. Bonds6

About methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate

methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate (PubChem CID 75380413) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate
PubChem CID75380413
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Namemethyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate
SMILESCCc1cnc(CSCc2ccc(C(=O)OC)c(F)c2)o1
InChIInChI=1S/C15H16FNO3S/c1-3-11-7-17-14(20-11)9-21-8-10-4-5-12(13(16)6-10)15(18)19-2/h4-7H,3,8-9H2,1-2H3
InChIKeyIEHHZAZZODGNQW-UHFFFAOYSA-N
XLogP3.60
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate 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

methyl 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-fluorobenzoate
CID 106698746
methyl 4-(2-aminoethylsulfanylmethyl)-2-fluorobenzoate
CID 106698616
methyl 2-fluoro-4-(pentylsulfanylmethyl)benzoate
CID 107746201
methyl 2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 103749395
methyl 4-[(6-amino-3-pyridinyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698636
methyl 4-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698624
methyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698550
methyl 4-[(3,4-dichlorophenyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698679
methyl 2-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 113429891
methyl 2-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzoate
CID 103520248
methyl 2-fluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzoate
CID 103749703
methyl 2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 113254544

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate (CID 75380413) is methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate is CCc1cnc(CSCc2ccc(C(=O)OC)c(F)c2)o1.
What is the InChIKey of methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate?
The InChIKey is IEHHZAZZODGNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-3-11-7-17-14(20-11)9-21-8-10-4-5-12(13(16)6-10)15(18)19-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate?
methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate has a molecular weight of 309.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanylmethyl]-2-fluorobenzoate is sourced from PubChem (CID 75380413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).