N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide

C23H24N4O4 — CID 170754102

About N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide

N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide (PubChem CID 170754102) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide
• PubChem CID: 170754102
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide
• SMILES: Cn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)CC4COCCN4)cc3)cc21
• InChI: InChI=1S/C23H24N4O4/c1-27-20-11-17(6-7-21(20)31-23(27)29)16-4-2-15(3-5-16)10-18(13-24)26-22(28)12-19-14-30-9-8-25-19/h2-7,11,18-19,25H,8-10,12,14H2,1H3,(H,26,28)
• InChIKey: MTYVYXGWDWFWKN-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 109.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?

The IUPAC name of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide (CID 170754102) is N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide.

What is the SMILES notation for N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?

The canonical SMILES for N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide is Cn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)CC4COCCN4)cc3)cc21.

What is the InChIKey of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?

The InChIKey is MTYVYXGWDWFWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-27-20-11-17(6-7-21(20)31-23(27)29)16-4-2-15(3-5-16)10-18(13-24)26-22(28)12-19-14-30-9-8-25-19/h2-7,11,18-19,25H,8-10,12,14H2,1H3,(H,26,28).

What are the key properties of N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide?

N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 420.47 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 170754102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).