3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide

C18H21F3N2O3 — CID 67058553

About 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide

3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide (PubChem CID 67058553) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
• PubChem CID: 67058553
• Molecular Formula: C18H21F3N2O3
• Molecular Weight: 370.37 g/mol
• Exact Mass: 370.15
• IUPAC Name: 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide
• SMILES: CCCOc1ccc(-c2cc(C(C(N)=O)C(C)C)on2)c(C(F)(F)F)c1
• InChI: InChI=1S/C18H21F3N2O3/c1-4-7-25-11-5-6-12(13(8-11)18(19,20)21)14-9-15(26-23-14)16(10(2)3)17(22)24/h5-6,8-10,16H,4,7H2,1-3H3,(H2,22,24)
• InChIKey: PDBMARJWLLWQCQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 78.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.37
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?

The IUPAC name of 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide (CID 67058553) is 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide.

What is the SMILES notation for 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?

The canonical SMILES for 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide is CCCOc1ccc(-c2cc(C(C(N)=O)C(C)C)on2)c(C(F)(F)F)c1.

What is the InChIKey of 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?

The InChIKey is PDBMARJWLLWQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-4-7-25-11-5-6-12(13(8-11)18(19,20)21)14-9-15(26-23-14)16(10(2)3)17(22)24/h5-6,8-10,16H,4,7H2,1-3H3,(H2,22,24).

What are the key properties of 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide?

3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide has a molecular weight of 370.37 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]butanamide is sourced from PubChem (CID 67058553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).