[(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid

C14H14F2N4O4 — CID 155272235

About [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid

[(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid (PubChem CID 155272235) has the molecular formula C14H14F2N4O4 and a molecular weight of 340.29 g/mol. Its IUPAC name is [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid.

Molecular Properties

• Compound Name: [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
• PubChem CID: 155272235
• Molecular Formula: C14H14F2N4O4
• Molecular Weight: 340.29 g/mol
• Exact Mass: 340.10
• IUPAC Name: [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
• SMILES: C[C@H](NC(=O)O)c1nc(-c2ccnc(OC3CC(F)(F)C3)c2)no1
• InChI: InChI=1S/C14H14F2N4O4/c1-7(18-13(21)22)12-19-11(20-24-12)8-2-3-17-10(4-8)23-9-5-14(15,16)6-9/h2-4,7,9,18H,5-6H2,1H3,(H,21,22)/t7-/m0/s1
• InChIKey: RVBXQHGYTSCLAP-ZETCQYMHSA-N
• XLogP: 2.64
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.29
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?

The IUPAC name of [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid (CID 155272235) is [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid.

What is the SMILES notation for [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?

The canonical SMILES for [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid is C[C@H](NC(=O)O)c1nc(-c2ccnc(OC3CC(F)(F)C3)c2)no1.

What is the InChIKey of [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?

The InChIKey is RVBXQHGYTSCLAP-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H14F2N4O4/c1-7(18-13(21)22)12-19-11(20-24-12)8-2-3-17-10(4-8)23-9-5-14(15,16)6-9/h2-4,7,9,18H,5-6H2,1H3,(H,21,22)/t7-/m0/s1.

What are the key properties of [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid?

[(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid has a molecular weight of 340.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid is sourced from PubChem (CID 155272235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).