5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide

C18H17FN2O3 — CID 40947130

About 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 40947130) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 40947130
• Molecular Formula: C18H17FN2O3
• Molecular Weight: 328.34 g/mol
• Exact Mass: 328.12
• IUPAC Name: 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2ccc(F)cc12
• InChI: InChI=1S/C18H17FN2O3/c1-9-3-5-14-13(7-9)18(24-21-14)20-17(22)16-10(2)12-8-11(19)4-6-15(12)23-16/h4,6,8-9H,3,5,7H2,1-2H3,(H,20,22)/t9-/m1/s1
• InChIKey: BSEVOOVBUXZKRW-SECBINFHSA-N
• XLogP: 4.25
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.34
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide (CID 40947130) is 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2ccc(F)cc12.

What is the InChIKey of 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide?

The InChIKey is BSEVOOVBUXZKRW-SECBINFHSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-9-3-5-14-13(7-9)18(24-21-14)20-17(22)16-10(2)12-8-11(19)4-6-15(12)23-16/h4,6,8-9H,3,5,7H2,1-2H3,(H,20,22)/t9-/m1/s1.

What are the key properties of 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide?

5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-methyl-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40947130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).