2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid

C20H15FN2O3S — CID 24991525

IUPAC2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(-c2ncco2)cc1
InChIInChI=1S/C20H15FN2O3S/c1-12-16(10-18(24)25)17-7-4-14(21)11-23(17)20(12)27-15-5-2-13(3-6-15)19-22-8-9-26-19/h2-9,11H,10H2,1H3,(H,24,25)
InChIKeyWFZXVUIMFNVAFX-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.82
Rot. Bonds5

About 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid

2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid (PubChem CID 24991525) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid
PubChem CID24991525
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid
SMILESCc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(-c2ncco2)cc1
InChIInChI=1S/C20H15FN2O3S/c1-12-16(10-18(24)25)17-7-4-14(21)11-23(17)20(12)27-15-5-2-13(3-6-15)19-22-8-9-26-19/h2-9,11H,10H2,1H3,(H,24,25)
InChIKeyWFZXVUIMFNVAFX-UHFFFAOYSA-N
XLogP4.82
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid (CID 24991525) is 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid is Cc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid?
The InChIKey is WFZXVUIMFNVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-12-16(10-18(24)25)17-7-4-14(21)11-23(17)20(12)27-15-5-2-13(3-6-15)19-22-8-9-26-19/h2-9,11H,10H2,1H3,(H,24,25).
What are the key properties of 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid?
2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid has a molecular weight of 382.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid is sourced from PubChem (CID 24991525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).