5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C21H16FN3O5S — CID 54256741

IUPAC5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCc1oc(-c2ccc(F)cc2)nc1C(=O)COc1ccc(Cc2sc(=O)[nH]c2O)nc1
InChIInChI=1S/C21H16FN3O5S/c1-11-18(24-20(30-11)12-2-4-13(22)5-3-12)16(26)10-29-15-7-6-14(23-9-15)8-17-19(27)25-21(28)31-17/h2-7,9,27H,8,10H2,1H3,(H,25,28)
InChIKeyRAPCZCPMHURZJP-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.49
Rot. Bonds7

About 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 54256741) has the molecular formula C21H16FN3O5S and a molecular weight of 441.44 g/mol. Its IUPAC name is 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID54256741
Molecular FormulaC21H16FN3O5S
Molecular Weight441.44 g/mol
Exact Mass441.08
IUPAC Name5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCc1oc(-c2ccc(F)cc2)nc1C(=O)COc1ccc(Cc2sc(=O)[nH]c2O)nc1
InChIInChI=1S/C21H16FN3O5S/c1-11-18(24-20(30-11)12-2-4-13(22)5-3-12)16(26)10-29-15-7-6-14(23-9-15)8-17-19(27)25-21(28)31-17/h2-7,9,27H,8,10H2,1H3,(H,25,28)
InChIKeyRAPCZCPMHURZJP-UHFFFAOYSA-N
XLogP3.49
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 54256741) is 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is Cc1oc(-c2ccc(F)cc2)nc1C(=O)COc1ccc(Cc2sc(=O)[nH]c2O)nc1.
What is the InChIKey of 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is RAPCZCPMHURZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O5S/c1-11-18(24-20(30-11)12-2-4-13(22)5-3-12)16(26)10-29-15-7-6-14(23-9-15)8-17-19(27)25-21(28)31-17/h2-7,9,27H,8,10H2,1H3,(H,25,28).
What are the key properties of 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 441.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-2-oxoethoxy]-2-pyridinyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54256741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).