2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide

C27H19FN6O3S — CID 121272512

About 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide

2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide (PubChem CID 121272512) has the molecular formula C27H19FN6O3S and a molecular weight of 526.55 g/mol. Its IUPAC name is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide
• PubChem CID: 121272512
• Molecular Formula: C27H19FN6O3S
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.12
• IUPAC Name: 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide
• SMILES: O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(-c3n[nH]c(=O)s3)cc2)cn1
• InChI: InChI=1S/C27H19FN6O3S/c28-20-6-8-22-19(11-20)12-23(25-29-9-10-37-25)34(22)15-24(35)31-14-21-7-5-18(13-30-21)16-1-3-17(4-2-16)26-32-33-27(36)38-26/h1-13H,14-15H2,(H,31,35)(H,33,36)
• InChIKey: RJEJNPRHYUCPDK-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 118.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?

The IUPAC name of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide (CID 121272512) is 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide.

What is the SMILES notation for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?

The canonical SMILES for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide is O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(-c2ccc(-c3n[nH]c(=O)s3)cc2)cn1.

What is the InChIKey of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?

The InChIKey is RJEJNPRHYUCPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN6O3S/c28-20-6-8-22-19(11-20)12-23(25-29-9-10-37-25)34(22)15-24(35)31-14-21-7-5-18(13-30-21)16-1-3-17(4-2-16)26-32-33-27(36)38-26/h1-13H,14-15H2,(H,31,35)(H,33,36).

What are the key properties of 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide?

2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide has a molecular weight of 526.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]-N-[[5-[4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121272512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).