N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide

C27H30N4O3 — CID 163876780

About N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide

N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide (PubChem CID 163876780) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide
• PubChem CID: 163876780
• Molecular Formula: C27H30N4O3
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.23
• IUPAC Name: N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide
• SMILES: C[C@H](NC(=O)C1CCCO1)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
• InChI: InChI=1S/C27H30N4O3/c1-18(29-26(32)24-10-6-16-34-24)27(33)31-15-5-9-23(31)25-28-17-22(30-25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-4,7-8,11-14,17-18,23-24H,5-6,9-10,15-16H2,1H3,(H,28,30)(H,29,32)/t18-,23?,24?/m0/s1
• InChIKey: PPOJVYDGAWFOFE-BIOCXDLKSA-N
• XLogP: 4.09
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide?

The IUPAC name of N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide (CID 163876780) is N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide?

The canonical SMILES for N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide is C[C@H](NC(=O)C1CCCO1)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1.

What is the InChIKey of N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide?

The InChIKey is PPOJVYDGAWFOFE-BIOCXDLKSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18(29-26(32)24-10-6-16-34-24)27(33)31-15-5-9-23(31)25-28-17-22(30-25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-4,7-8,11-14,17-18,23-24H,5-6,9-10,15-16H2,1H3,(H,28,30)(H,29,32)/t18-,23?,24?/m0/s1.

What are the key properties of N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide?

N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-oxo-1-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 163876780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).