N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C20H23N3O3 — CID 55996812

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 55996812) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
• PubChem CID: 55996812
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
• SMILES: O=C(NCC(c1ccco1)N1CCCC1)C1=NOC(c2ccccc2)C1
• InChI: InChI=1S/C20H23N3O3/c24-20(16-13-19(26-22-16)15-7-2-1-3-8-15)21-14-17(18-9-6-12-25-18)23-10-4-5-11-23/h1-3,6-9,12,17,19H,4-5,10-11,13-14H2,(H,21,24)
• InChIKey: LEEHVNMIPFSTBU-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 55996812) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)C1=NOC(c2ccccc2)C1.

What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?

The InChIKey is LEEHVNMIPFSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(16-13-19(26-22-16)15-7-2-1-3-8-15)21-14-17(18-9-6-12-25-18)23-10-4-5-11-23/h1-3,6-9,12,17,19H,4-5,10-11,13-14H2,(H,21,24).

What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55996812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).