5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

C19H23ClN4O2 — CID 46959731

About 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 46959731) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
• PubChem CID: 46959731
• Molecular Formula: C19H23ClN4O2
• Molecular Weight: 374.87 g/mol
• Exact Mass: 374.15
• IUPAC Name: 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
• SMILES: CCn1ncc(CN2CCCC(n3c(=O)oc4ccc(Cl)cc43)C2)c1C
• InChI: InChI=1S/C19H23ClN4O2/c1-3-23-13(2)14(10-21-23)11-22-8-4-5-16(12-22)24-17-9-15(20)6-7-18(17)26-19(24)25/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3
• InChIKey: JWMRCXRDNMZIGM-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 56.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.87
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?

The IUPAC name of 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (CID 46959731) is 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?

The canonical SMILES for 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is CCn1ncc(CN2CCCC(n3c(=O)oc4ccc(Cl)cc43)C2)c1C.

What is the InChIKey of 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?

The InChIKey is JWMRCXRDNMZIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-3-23-13(2)14(10-21-23)11-22-8-4-5-16(12-22)24-17-9-15(20)6-7-18(17)26-19(24)25/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3.

What are the key properties of 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?

5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 374.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 46959731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).