N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide

C18H18ClN3O4 — CID 8005781

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide (PubChem CID 8005781) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
• PubChem CID: 8005781
• Molecular Formula: C18H18ClN3O4
• Molecular Weight: 375.81 g/mol
• Exact Mass: 375.10
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN(C)Cn1c(=O)oc2ccccc21
• InChI: InChI=1S/C18H18ClN3O4/c1-21(11-22-14-5-3-4-6-16(14)26-18(22)24)10-17(23)20-13-9-12(19)7-8-15(13)25-2/h3-9H,10-11H2,1-2H3,(H,20,23)
• InChIKey: FLYPTZCQIUQOTM-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.81
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide (CID 8005781) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)Cn1c(=O)oc2ccccc21.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide?

The InChIKey is FLYPTZCQIUQOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-21(11-22-14-5-3-4-6-16(14)26-18(22)24)10-17(23)20-13-9-12(19)7-8-15(13)25-2/h3-9H,10-11H2,1-2H3,(H,20,23).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide has a molecular weight of 375.81 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 8005781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).