ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone

C33H47FN6O4 — CID 142558332

About ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone

ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone (PubChem CID 142558332) has the molecular formula C33H47FN6O4 and a molecular weight of 610.78 g/mol. Its IUPAC name is ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone
• PubChem CID: 142558332
• Molecular Formula: C33H47FN6O4
• Molecular Weight: 610.78 g/mol
• Exact Mass: 610.36
• IUPAC Name: ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone
• SMILES: CC.CC(=O)N1CCC[C@@H]1c1ccccc1.Cc1ccc(-c2cnc([C@H](C)NC(=O)CNC(=O)c3cc(C)on3)[nH]2)c(F)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H20FN5O3.C12H15NO.C2H6.3H2/c1-10-4-5-13(14(20)6-10)16-8-21-18(24-16)12(3)23-17(26)9-22-19(27)15-7-11(2)28-25-15;1-10(14)13-9-5-8-12(13)11-6-3-2-4-7-11;1-2;;;/h4-8,12H,9H2,1-3H3,(H,21,24)(H,22,27)(H,23,26);2-4,6-7,12H,5,8-9H2,1H3;1-2H3;3*1H/t2*12-;;;;/m01..../s1
• InChIKey: FWHSLWWZSMSYDK-RUPNDPGHSA-N
• XLogP: 6.56
• TPSA: 133.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.78
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone?

The IUPAC name of ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone (CID 142558332) is ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone.

What is the SMILES notation for ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone?

The canonical SMILES for ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone is CC.CC(=O)N1CCC[C@@H]1c1ccccc1.Cc1ccc(-c2cnc([C@H](C)NC(=O)CNC(=O)c3cc(C)on3)[nH]2)c(F)c1.[H][H].[H][H].[H][H].

What is the InChIKey of ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone?

The InChIKey is FWHSLWWZSMSYDK-RUPNDPGHSA-N. The full InChI is InChI=1S/C19H20FN5O3.C12H15NO.C2H6.3H2/c1-10-4-5-13(14(20)6-10)16-8-21-18(24-16)12(3)23-17(26)9-22-19(27)15-7-11(2)28-25-15;1-10(14)13-9-5-8-12(13)11-6-3-2-4-7-11;1-2;;;/h4-8,12H,9H2,1-3H3,(H,21,24)(H,22,27)(H,23,26);2-4,6-7,12H,5,8-9H2,1H3;1-2H3;3*1H/t2*12-;;;;/m01..../s1.

What are the key properties of ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone?

ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone has a molecular weight of 610.78 g/mol, XLogP of 6.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 142558332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).