N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C17H19N5O3S — CID 74245239

About N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 74245239) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
• PubChem CID: 74245239
• Molecular Formula: C17H19N5O3S
• Molecular Weight: 373.44 g/mol
• Exact Mass: 373.12
• IUPAC Name: N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
• SMILES: CCn1c(=O)oc2cc(NC(=O)N3CCN(c4nccs4)CC3)ccc21
• InChI: InChI=1S/C17H19N5O3S/c1-2-22-13-4-3-12(11-14(13)25-17(22)24)19-15(23)20-6-8-21(9-7-20)16-18-5-10-26-16/h3-5,10-11H,2,6-9H2,1H3,(H,19,23)
• InChIKey: BJJBUDNEUCDGLH-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 83.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.44
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?

The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 74245239) is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?

The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is CCn1c(=O)oc2cc(NC(=O)N3CCN(c4nccs4)CC3)ccc21.

What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?

The InChIKey is BJJBUDNEUCDGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-2-22-13-4-3-12(11-14(13)25-17(22)24)19-15(23)20-6-8-21(9-7-20)16-18-5-10-26-16/h3-5,10-11H,2,6-9H2,1H3,(H,19,23).

What are the key properties of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?

N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 74245239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).