N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C24H23FN2O4 — CID 86878976

About N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 86878976) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 86878976
• Molecular Formula: C24H23FN2O4
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.16
• IUPAC Name: N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
• SMILES: CC(C)OCc1c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)oc2ccccc12
• InChI: InChI=1S/C24H23FN2O4/c1-15(2)29-14-20-19-5-3-4-6-21(19)31-22(20)23(28)26-12-11-18-13-30-24(27-18)16-7-9-17(25)10-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28)
• InChIKey: XGNVXMGVBRISCJ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 77.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 86878976) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)oc2ccccc12.

What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

The InChIKey is XGNVXMGVBRISCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-15(2)29-14-20-19-5-3-4-6-21(19)31-22(20)23(28)26-12-11-18-13-30-24(27-18)16-7-9-17(25)10-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,28).

What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86878976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).