2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C24H25F4N3O3 — CID 170720630

About 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720630) has the molecular formula C24H25F4N3O3 and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 170720630
• Molecular Formula: C24H25F4N3O3
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.18
• IUPAC Name: 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• SMILES: O=C(Nc1ccc(OC2CC3C[C@@H]3C2)c(F)c1)c1nc(N2CCC3(CC3)C2)oc1CC(F)(F)F
• InChI: InChI=1S/C24H25F4N3O3/c25-17-10-15(1-2-18(17)33-16-8-13-7-14(13)9-16)29-21(32)20-19(11-24(26,27)28)34-22(30-20)31-6-5-23(12-31)3-4-23/h1-2,10,13-14,16H,3-9,11-12H2,(H,29,32)/t13-,14?,16?/m1/s1
• InChIKey: HXGHECSCFLEURB-VQCLRJIVSA-N
• XLogP: 5.34
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720630) is 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(OC2CC3C[C@@H]3C2)c(F)c1)c1nc(N2CCC3(CC3)C2)oc1CC(F)(F)F.

What is the InChIKey of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is HXGHECSCFLEURB-VQCLRJIVSA-N. The full InChI is InChI=1S/C24H25F4N3O3/c25-17-10-15(1-2-18(17)33-16-8-13-7-14(13)9-16)29-21(32)20-19(11-24(26,27)28)34-22(30-20)31-6-5-23(12-31)3-4-23/h1-2,10,13-14,16H,3-9,11-12H2,(H,29,32)/t13-,14?,16?/m1/s1.

What are the key properties of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 479.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).