N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C19H25N3O5 — CID 4088042

About N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 4088042) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
• PubChem CID: 4088042
• Molecular Formula: C19H25N3O5
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.18
• IUPAC Name: N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
• SMILES: CCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1c(OC)cccc1OC
• InChI: InChI=1S/C19H25N3O5/c1-6-12(2)22(11-17(23)20-16-10-13(3)27-21-16)19(24)18-14(25-4)8-7-9-15(18)26-5/h7-10,12H,6,11H2,1-5H3,(H,20,21,23)
• InChIKey: KOWMNEVXLZJWFP-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

The IUPAC name of N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 4088042) is N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)c1c(OC)cccc1OC.

What is the InChIKey of N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

The InChIKey is KOWMNEVXLZJWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-6-12(2)22(11-17(23)20-16-10-13(3)27-21-16)19(24)18-14(25-4)8-7-9-15(18)26-5/h7-10,12H,6,11H2,1-5H3,(H,20,21,23).

What are the key properties of N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?

N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4088042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).