2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

C17H18FN3O4 — CID 4230560

About 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4230560) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 4230560
• Molecular Formula: C17H18FN3O4
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.13
• IUPAC Name: 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: O=C(CN(CC1CCCO1)C(=O)c1ccccc1F)Nc1ccon1
• InChI: InChI=1S/C17H18FN3O4/c18-14-6-2-1-5-13(14)17(23)21(10-12-4-3-8-24-12)11-16(22)19-15-7-9-25-20-15/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,19,20,22)
• InChIKey: MYFCETUBTXXTNI-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 4230560) is 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(CN(CC1CCCO1)C(=O)c1ccccc1F)Nc1ccon1.

What is the InChIKey of 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is MYFCETUBTXXTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-14-6-2-1-5-13(14)17(23)21(10-12-4-3-8-24-12)11-16(22)19-15-7-9-25-20-15/h1-2,5-7,9,12H,3-4,8,10-11H2,(H,19,20,22).

What are the key properties of 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?

2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 347.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4230560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).