(3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

C19H17FN2O4S — CID 8836394

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
SMILESCOc1ccc(COC(=O)c2cccnc2SCc2cc(C)on2)cc1F
InChIInChI=1S/C19H17FN2O4S/c1-12-8-14(22-26-12)11-27-18-15(4-3-7-21-18)19(23)25-10-13-5-6-17(24-2)16(20)9-13/h3-9H,10-11H2,1-2H3
InChIKeyNEZXDNXNNWTZCR-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.18
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

(3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate (PubChem CID 8836394) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
PubChem CID8836394
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
SMILESCOc1ccc(COC(=O)c2cccnc2SCc2cc(C)on2)cc1F
InChIInChI=1S/C19H17FN2O4S/c1-12-8-14(22-26-12)11-27-18-15(4-3-7-21-18)19(23)25-10-13-5-6-17(24-2)16(20)9-13/h3-9H,10-11H2,1-2H3
InChIKeyNEZXDNXNNWTZCR-UHFFFAOYSA-N
XLogP4.18
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate (CID 8836394) is (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate is COc1ccc(COC(=O)c2cccnc2SCc2cc(C)on2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
The InChIKey is NEZXDNXNNWTZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-12-8-14(22-26-12)11-27-18-15(4-3-7-21-18)19(23)25-10-13-5-6-17(24-2)16(20)9-13/h3-9H,10-11H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 8836394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).