2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide

C28H21F7N4O4 — CID 166672038

About 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide

2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide (PubChem CID 166672038) has the molecular formula C28H21F7N4O4 and a molecular weight of 610.49 g/mol. Its IUPAC name is 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide
• PubChem CID: 166672038
• Molecular Formula: C28H21F7N4O4
• Molecular Weight: 610.49 g/mol
• Exact Mass: 610.15
• IUPAC Name: 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide
• SMILES: Nc1nc2c(OC(F)(F)F)cc(C(=O)NC[C@H](c3cc4c(c(-c5ccc(F)cc5)n3)OCC4C(F)(F)F)C3CC3)cc2o1
• InChI: InChI=1S/C28H21F7N4O4/c29-15-5-3-13(4-6-15)22-24-16(18(11-41-24)27(30,31)32)9-19(38-22)17(12-1-2-12)10-37-25(40)14-7-20-23(39-26(36)42-20)21(8-14)43-28(33,34)35/h3-9,12,17-18H,1-2,10-11H2,(H2,36,39)(H,37,40)/t17-,18?/m0/s1
• InChIKey: BTHFXNCXBFHGQR-ZENAZSQFSA-N
• XLogP: 6.47
• TPSA: 112.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.49
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide?

The IUPAC name of 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide (CID 166672038) is 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide.

What is the SMILES notation for 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide?

The canonical SMILES for 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide is Nc1nc2c(OC(F)(F)F)cc(C(=O)NC[C@H](c3cc4c(c(-c5ccc(F)cc5)n3)OCC4C(F)(F)F)C3CC3)cc2o1.

What is the InChIKey of 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide?

The InChIKey is BTHFXNCXBFHGQR-ZENAZSQFSA-N. The full InChI is InChI=1S/C28H21F7N4O4/c29-15-5-3-13(4-6-15)22-24-16(18(11-41-24)27(30,31)32)9-19(38-22)17(12-1-2-12)10-37-25(40)14-7-20-23(39-26(36)42-20)21(8-14)43-28(33,34)35/h3-9,12,17-18H,1-2,10-11H2,(H2,36,39)(H,37,40)/t17-,18?/m0/s1.

What are the key properties of 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide?

2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide has a molecular weight of 610.49 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 166672038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).