3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid

C26H25F2N5O3S — CID 10257272

IUPAC3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESO=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C26H25F2N5O3S/c27-19-9-7-16(11-20(19)28)26-30-14-21(37-26)17(13-24(34)35)12-23-32-22(33-36-23)5-1-4-18-8-6-15-3-2-10-29-25(15)31-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,29,31)(H,34,35)
InChIKeyPNFGPLYLVNRTOS-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.20
Rot. Bonds10

About 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid

3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 10257272) has the molecular formula C26H25F2N5O3S and a molecular weight of 525.58 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID10257272
Molecular FormulaC26H25F2N5O3S
Molecular Weight525.58 g/mol
Exact Mass525.16
IUPAC Name3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESO=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C26H25F2N5O3S/c27-19-9-7-16(11-20(19)28)26-30-14-21(37-26)17(13-24(34)35)12-23-32-22(33-36-23)5-1-4-18-8-6-15-3-2-10-29-25(15)31-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,29,31)(H,34,35)
InChIKeyPNFGPLYLVNRTOS-UHFFFAOYSA-N
XLogP5.20
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid 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-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid (CID 10257272) is 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid is O=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is PNFGPLYLVNRTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3S/c27-19-9-7-16(11-20(19)28)26-30-14-21(37-26)17(13-24(34)35)12-23-32-22(33-36-23)5-1-4-18-8-6-15-3-2-10-29-25(15)31-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,29,31)(H,34,35).
What are the key properties of 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 525.58 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 10257272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).