(2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

C32H26FN3O5 — CID 58032257

About (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

(2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid (PubChem CID 58032257) has the molecular formula C32H26FN3O5 and a molecular weight of 551.57 g/mol. Its IUPAC name is (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
• PubChem CID: 58032257
• Molecular Formula: C32H26FN3O5
• Molecular Weight: 551.57 g/mol
• Exact Mass: 551.19
• IUPAC Name: (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
• SMILES: Cc1ccc(-c2nc(-c3ccc(C[C@@H](NC(=O)c4ccc(-c5ccc(C6CC6)cc5)o4)C(=O)O)cc3F)no2)cc1
• InChI: InChI=1S/C32H26FN3O5/c1-18-2-5-23(6-3-18)31-35-29(36-41-31)24-13-4-19(16-25(24)33)17-26(32(38)39)34-30(37)28-15-14-27(40-28)22-11-9-21(10-12-22)20-7-8-20/h2-6,9-16,20,26H,7-8,17H2,1H3,(H,34,37)(H,38,39)/t26-/m1/s1
• InChIKey: RNJDHZASZWCMJR-AREMUKBSSA-N
• XLogP: 6.41
• TPSA: 118.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.57
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

The IUPAC name of (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid (CID 58032257) is (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid.

What is the SMILES notation for (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

The canonical SMILES for (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid is Cc1ccc(-c2nc(-c3ccc(C[C@@H](NC(=O)c4ccc(-c5ccc(C6CC6)cc5)o4)C(=O)O)cc3F)no2)cc1.

What is the InChIKey of (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

The InChIKey is RNJDHZASZWCMJR-AREMUKBSSA-N. The full InChI is InChI=1S/C32H26FN3O5/c1-18-2-5-23(6-3-18)31-35-29(36-41-31)24-13-4-19(16-25(24)33)17-26(32(38)39)34-30(37)28-15-14-27(40-28)22-11-9-21(10-12-22)20-7-8-20/h2-6,9-16,20,26H,7-8,17H2,1H3,(H,34,37)(H,38,39)/t26-/m1/s1.

What are the key properties of (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?

(2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid has a molecular weight of 551.57 g/mol, XLogP of 6.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(4-cyclopropylphenyl)furan-2-carbonyl]amino]-3-[3-fluoro-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 58032257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).