[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate

C14H16FN3O4 — CID 175032970

About [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate

[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate (PubChem CID 175032970) has the molecular formula C14H16FN3O4 and a molecular weight of 309.30 g/mol. Its IUPAC name is [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate.

Molecular Properties

• Compound Name: [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate
• PubChem CID: 175032970
• Molecular Formula: C14H16FN3O4
• Molecular Weight: 309.30 g/mol
• Exact Mass: 309.11
• IUPAC Name: [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate
• SMILES: Cc1ccc(F)c(C(C)C(OC(N)=O)c2n[nH]c(=O)o2)c1C
• InChI: InChI=1S/C14H16FN3O4/c1-6-4-5-9(15)10(7(6)2)8(3)11(21-13(16)19)12-17-18-14(20)22-12/h4-5,8,11H,1-3H3,(H2,16,19)(H,18,20)
• InChIKey: XWKZQGNQMZIDSM-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 111.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.30
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate?

The IUPAC name of [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate (CID 175032970) is [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate.

What is the SMILES notation for [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate?

The canonical SMILES for [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate is Cc1ccc(F)c(C(C)C(OC(N)=O)c2n[nH]c(=O)o2)c1C.

What is the InChIKey of [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate?

The InChIKey is XWKZQGNQMZIDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4/c1-6-4-5-9(15)10(7(6)2)8(3)11(21-13(16)19)12-17-18-14(20)22-12/h4-5,8,11H,1-3H3,(H2,16,19)(H,18,20).

What are the key properties of [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate?

[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate has a molecular weight of 309.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl] carbamate is sourced from PubChem (CID 175032970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).