2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

C18H14N4O4S — CID 38468487

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 38468487) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
• PubChem CID: 38468487
• Molecular Formula: C18H14N4O4S
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.07
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)Nc2ccc3oc(=O)[nH]c3c2)no1
• InChI: InChI=1S/C18H14N4O4S/c1-10-7-12(22-26-10)9-27-17-13(3-2-6-19-17)16(23)20-11-4-5-15-14(8-11)21-18(24)25-15/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
• InChIKey: KEBKETMLGJPLIR-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 114.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 38468487) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2ccc3oc(=O)[nH]c3c2)no1.

What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?

The InChIKey is KEBKETMLGJPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c1-10-7-12(22-26-10)9-27-17-13(3-2-6-19-17)16(23)20-11-4-5-15-14(8-11)21-18(24)25-15/h2-8H,9H2,1H3,(H,20,23)(H,21,24).

What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 38468487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).