3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one

C27H29FN2O5S — CID 144744467

About 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one

3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 144744467) has the molecular formula C27H29FN2O5S and a molecular weight of 512.60 g/mol. Its IUPAC name is 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

• Compound Name: 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one
• PubChem CID: 144744467
• Molecular Formula: C27H29FN2O5S
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.18
• IUPAC Name: 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one
• SMILES: CCCc1cc(C[C@H](OC2CCOCC2)c2ccccc2OC)c2sc(-c3ncco3)c(F)n2c1=O
• InChI: InChI=1S/C27H29FN2O5S/c1-3-6-17-15-18(27-30(26(17)31)24(28)23(36-27)25-29-11-14-34-25)16-22(35-19-9-12-33-13-10-19)20-7-4-5-8-21(20)32-2/h4-5,7-8,11,14-15,19,22H,3,6,9-10,12-13,16H2,1-2H3/t22-/m0/s1
• InChIKey: KQEXHEKLNMCQGO-QFIPXVFZSA-N
• XLogP: 5.60
• TPSA: 75.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.60
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one?

The IUPAC name of 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 144744467) is 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one.

What is the SMILES notation for 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one?

The canonical SMILES for 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one is CCCc1cc(C[C@H](OC2CCOCC2)c2ccccc2OC)c2sc(-c3ncco3)c(F)n2c1=O.

What is the InChIKey of 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one?

The InChIKey is KQEXHEKLNMCQGO-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H29FN2O5S/c1-3-6-17-15-18(27-30(26(17)31)24(28)23(36-27)25-29-11-14-34-25)16-22(35-19-9-12-33-13-10-19)20-7-4-5-8-21(20)32-2/h4-5,7-8,11,14-15,19,22H,3,6,9-10,12-13,16H2,1-2H3/t22-/m0/s1.

What are the key properties of 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one?

3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 512.60 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-6-propyl-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 144744467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).