1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide

C19H24N4O4 — CID 167968453

About 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide

1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide (PubChem CID 167968453) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
• PubChem CID: 167968453
• Molecular Formula: C19H24N4O4
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.18
• IUPAC Name: 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide
• SMILES: NC1(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)CCC1
• InChI: InChI=1S/C19H24N4O4/c20-19(7-4-8-19)17(25)21-13-5-6-15-14(11-13)23(18(26)27-15)12-16(24)22-9-2-1-3-10-22/h5-6,11H,1-4,7-10,12,20H2,(H,21,25)
• InChIKey: PECBDCAUJZEIER-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 110.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide?

The IUPAC name of 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide (CID 167968453) is 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide.

What is the SMILES notation for 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide?

The canonical SMILES for 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)CCC1.

What is the InChIKey of 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide?

The InChIKey is PECBDCAUJZEIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-19(7-4-8-19)17(25)21-13-5-6-15-14(11-13)23(18(26)27-15)12-16(24)22-9-2-1-3-10-22/h5-6,11H,1-4,7-10,12,20H2,(H,21,25).

What are the key properties of 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide?

1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 167968453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).