9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane

C78H92F2N12O13S2 — CID 162221888

About 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane

9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane (PubChem CID 162221888) has the molecular formula C78H92F2N12O13S2 and a molecular weight of 1507.79 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane
• PubChem CID: 162221888
• Molecular Formula: C78H92F2N12O13S2
• Molecular Weight: 1507.79 g/mol
• Exact Mass: 1506.63
• IUPAC Name: 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane
• SMILES: C.C1CCOC1.CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(NNCC(=O)C(=O)OCC5c6ccccc6-c6ccccc65)cc4)CC3)c(F)c2)C(=O)O1.CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(NNCC=O)cc4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C44H45FN6O7S.C29H35FN6O5S.C4H8O.CH4/c1-2-41(59)46-24-31-26-51(44(56)58-31)30-15-16-38(37(45)23-30)49-19-21-50(22-20-49)42(54)18-17-39(52)28-11-13-29(14-12-28)48-47-25-40(53)43(55)57-27-36-34-9-5-3-7-32(34)33-8-4-6-10-35(33)36;1-2-27(42)31-18-23-19-36(29(40)41-23)22-7-8-25(24(30)17-22)34-12-14-35(15-13-34)28(39)10-9-26(38)20-3-5-21(6-4-20)33-32-11-16-37;1-2-4-5-3-1;/h3-16,23,31,36,47-48H,2,17-22,24-27H2,1H3,(H,46,59);3-8,16-17,23,32-33H,2,9-15,18-19H2,1H3,(H,31,42);1-4H2;1H4/t31-;23-;;/m00../s1
• InChIKey: ZUFSKGMIKDSXAG-UPOYHEINSA-N
• XLogP: 9.97
• TPSA: 282.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1507.79
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane?

The IUPAC name of 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane (CID 162221888) is 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane?

The canonical SMILES for 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane is C.C1CCOC1.CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(NNCC(=O)C(=O)OCC5c6ccccc6-c6ccccc65)cc4)CC3)c(F)c2)C(=O)O1.CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(NNCC=O)cc4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane?

The InChIKey is ZUFSKGMIKDSXAG-UPOYHEINSA-N. The full InChI is InChI=1S/C44H45FN6O7S.C29H35FN6O5S.C4H8O.CH4/c1-2-41(59)46-24-31-26-51(44(56)58-31)30-15-16-38(37(45)23-30)49-19-21-50(22-20-49)42(54)18-17-39(52)28-11-13-29(14-12-28)48-47-25-40(53)43(55)57-27-36-34-9-5-3-7-32(34)33-8-4-6-10-35(33)36;1-2-27(42)31-18-23-19-36(29(40)41-23)22-7-8-25(24(30)17-22)34-12-14-35(15-13-34)28(39)10-9-26(38)20-3-5-21(6-4-20)33-32-11-16-37;1-2-4-5-3-1;/h3-16,23,31,36,47-48H,2,17-22,24-27H2,1H3,(H,46,59);3-8,16-17,23,32-33H,2,9-15,18-19H2,1H3,(H,31,42);1-4H2;1H4/t31-;23-;;/m00../s1.

What are the key properties of 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane?

9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane has a molecular weight of 1507.79 g/mol, XLogP of 9.97, 29 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 3-[2-[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]hydrazinyl]-2-oxopropanoate;N-[[(5S)-3-[3-fluoro-4-[4-[4-oxo-4-[4-[2-(2-oxoethyl)hydrazinyl]phenyl]butanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide;methane;oxolane is sourced from PubChem (CID 162221888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).