4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

C22H23N3O4 — CID 51144926

About 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 51144926) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
• PubChem CID: 51144926
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
• SMILES: O=C1CC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CN1Cc1ccco1
• InChI: InChI=1S/C22H23N3O4/c26-20-12-16(13-25(20)14-17-4-3-11-28-17)22(27)24-9-7-15(8-10-24)21-23-18-5-1-2-6-19(18)29-21/h1-6,11,15-16H,7-10,12-14H2
• InChIKey: BAINGDQKOROKHO-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 79.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?

The IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 51144926) is 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.

What is the SMILES notation for 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?

The canonical SMILES for 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CN1Cc1ccco1.

What is the InChIKey of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?

The InChIKey is BAINGDQKOROKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20-12-16(13-25(20)14-17-4-3-11-28-17)22(27)24-9-7-15(8-10-24)21-23-18-5-1-2-6-19(18)29-21/h1-6,11,15-16H,7-10,12-14H2.

What are the key properties of 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?

4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 393.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 51144926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).