N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H20F2N4O4 — CID 177186797

About N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177186797) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 177186797
• Molecular Formula: C24H20F2N4O4
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.15
• IUPAC Name: N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cc2c(-c3nc4cc(C5(O)CCOC5)ccc4o3)cnc(C(F)F)c2cn1)C1CC1
• InChI: InChI=1S/C24H20F2N4O4/c25-21(26)20-15-9-27-19(30-22(31)12-1-2-12)8-14(15)16(10-28-20)23-29-17-7-13(3-4-18(17)34-23)24(32)5-6-33-11-24/h3-4,7-10,12,21,32H,1-2,5-6,11H2,(H,27,30,31)
• InChIKey: LRBBSJVHAPPZJX-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177186797) is N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2c(-c3nc4cc(C5(O)CCOC5)ccc4o3)cnc(C(F)F)c2cn1)C1CC1.

What is the InChIKey of N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is LRBBSJVHAPPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c25-21(26)20-15-9-27-19(30-22(31)12-1-2-12)8-14(15)16(10-28-20)23-29-17-7-13(3-4-18(17)34-23)24(32)5-6-33-11-24/h3-4,7-10,12,21,32H,1-2,5-6,11H2,(H,27,30,31).

What are the key properties of N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 466.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(difluoromethyl)-5-[5-(3-hydroxyoxolan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177186797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).