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

C14H14ClN3O3S — CID 18535101

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide (PubChem CID 18535101) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
• PubChem CID: 18535101
• Molecular Formula: C14H14ClN3O3S
• Molecular Weight: 339.80 g/mol
• Exact Mass: 339.04
• IUPAC Name: N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
• SMILES: O=C(NC1CC2CCC1N2)c1ccc(Oc2cnc(Cl)o2)s1
• InChI: InChI=1S/C14H14ClN3O3S/c15-14-16-6-11(21-14)20-12-4-3-10(22-12)13(19)18-9-5-7-1-2-8(9)17-7/h3-4,6-9,17H,1-2,5H2,(H,18,19)
• InChIKey: LTOYWJLJMLSCBF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 76.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.80
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide (CID 18535101) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide.

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

The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(Oc2cnc(Cl)o2)s1.

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

The InChIKey is LTOYWJLJMLSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-14-16-6-11(21-14)20-12-4-3-10(22-12)13(19)18-9-5-7-1-2-8(9)17-7/h3-4,6-9,17H,1-2,5H2,(H,18,19).

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide is sourced from PubChem (CID 18535101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).