1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea

C17H19N5O3 — CID 51099669

About 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea

1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea (PubChem CID 51099669) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea.

Molecular Properties

• Compound Name: 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
• PubChem CID: 51099669
• Molecular Formula: C17H19N5O3
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.15
• IUPAC Name: 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
• SMILES: CN(C)CCn1c(=O)oc2ccc(NC(=O)Nc3ccccn3)cc21
• InChI: InChI=1S/C17H19N5O3/c1-21(2)9-10-22-13-11-12(6-7-14(13)25-17(22)24)19-16(23)20-15-5-3-4-8-18-15/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20,23)
• InChIKey: GJPKKPUJWGUUJE-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 92.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea?

The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea (CID 51099669) is 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea.

What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea?

The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea is CN(C)CCn1c(=O)oc2ccc(NC(=O)Nc3ccccn3)cc21.

What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea?

The InChIKey is GJPKKPUJWGUUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21(2)9-10-22-13-11-12(6-7-14(13)25-17(22)24)19-16(23)20-15-5-3-4-8-18-15/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20,23).

What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea?

1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea has a molecular weight of 341.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 51099669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).