(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C85H99ClF4N16O9 — CID 158619014

About (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158619014) has the molecular formula C85H99ClF4N16O9 and a molecular weight of 1600.27 g/mol. Its IUPAC name is (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 158619014
• Molecular Formula: C85H99ClF4N16O9
• Molecular Weight: 1600.27 g/mol
• Exact Mass: 1598.74
• IUPAC Name: (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• SMILES: CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C3CC3)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)cnn12
• InChI: InChI=1S/C19H23N3O2.C17H18F3N3O2.C17H22N4O.C16H18ClN3O2.C16H18FN3O2/c1-19(2,21-18(23)15-13-8-20-9-14(13)15)17-12-5-3-4-11(10-6-7-10)16(12)24-22-17;1-16(2,22-15(24)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)25-23-14;1-10-5-4-6-14-13(9-19-21(10)14)17(2,3)20-16(22)15-11-7-18-8-12(11)15;2*1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-5,10,13-15,20H,6-9H2,1-2H3,(H,21,23);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,24);4-6,9,11-12,15,18H,7-8H2,1-3H3,(H,20,22);2*3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t13-,14+,15?;9-,10+,12?;11-,12+,15?;2*9-,10+,12?
• InChIKey: HXTKQJTXMMFSQP-QQHYKBJESA-N
• XLogP: 10.73
• TPSA: 327.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1600.27
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158619014) is (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C3CC3)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)cnn12.

What is the InChIKey of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is HXTKQJTXMMFSQP-QQHYKBJESA-N. The full InChI is InChI=1S/C19H23N3O2.C17H18F3N3O2.C17H22N4O.C16H18ClN3O2.C16H18FN3O2/c1-19(2,21-18(23)15-13-8-20-9-14(13)15)17-12-5-3-4-11(10-6-7-10)16(12)24-22-17;1-16(2,22-15(24)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)25-23-14;1-10-5-4-6-14-13(9-19-21(10)14)17(2,3)20-16(22)15-11-7-18-8-12(11)15;2*1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-5,10,13-15,20H,6-9H2,1-2H3,(H,21,23);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,24);4-6,9,11-12,15,18H,7-8H2,1-3H3,(H,20,22);2*3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t13-,14+,15?;9-,10+,12?;11-,12+,15?;2*9-,10+,12?.

What are the key properties of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1600.27 g/mol, XLogP of 10.73, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158619014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).