N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide

C15H17N3O4S — CID 70026491

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide (PubChem CID 70026491) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
• PubChem CID: 70026491
• Molecular Formula: C15H17N3O4S
• Molecular Weight: 335.39 g/mol
• Exact Mass: 335.09
• IUPAC Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
• SMILES: COc1ncc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1
• InChI: InChI=1S/C15H17N3O4S/c1-20-15-16-7-12(22-15)21-13-5-4-11(23-13)14(19)18-10-6-8-2-3-9(10)17-8/h4-5,7-10,17H,2-3,6H2,1H3,(H,18,19)/t8-,9+,10-/m1/s1
• InChIKey: BKRNXEHXCLCVLU-KXUCPTDWSA-N
• XLogP: 2.16
• TPSA: 85.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.39
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide?

The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide (CID 70026491) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide.

What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide?

The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide is COc1ncc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1.

What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide?

The InChIKey is BKRNXEHXCLCVLU-KXUCPTDWSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-20-15-16-7-12(22-15)21-13-5-4-11(23-13)14(19)18-10-6-8-2-3-9(10)17-8/h4-5,7-10,17H,2-3,6H2,1H3,(H,18,19)/t8-,9+,10-/m1/s1.

What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide?

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide is sourced from PubChem (CID 70026491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).