(5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one

C88H86F4N22O10 — CID 158394635

About (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one

(5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one (PubChem CID 158394635) has the molecular formula C88H86F4N22O10 and a molecular weight of 1687.79 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
• PubChem CID: 158394635
• Molecular Formula: C88H86F4N22O10
• Molecular Weight: 1687.79 g/mol
• Exact Mass: 1686.68
• IUPAC Name: (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
• SMILES: CC(=O)CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3cn[nH]n3)C4)c(F)c2)C(=O)O1.CC(=O)CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3nnn(C)n3)C4)c(F)c2)C(=O)O1.CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3cn[nH]n3)C4)c(F)c2)C(=O)O1.CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3nnn(C)n3)C4)c(F)c2)C(=O)O1
• InChI: InChI=1S/C23H23FN6O3.C23H22FN5O3.C21H21FN6O2.C21H20FN5O2/c1-14(31)3-7-19-13-30(23(32)33-19)18-6-8-20(21(24)10-18)15-4-5-16-11-29(12-17(16)9-15)22-25-27-28(2)26-22;1-14(30)2-6-19-13-29(23(31)32-19)18-5-7-20(21(24)9-18)15-3-4-16-11-28(12-17(16)8-15)22-10-25-27-26-22;1-3-17-12-28(21(29)30-17)16-6-7-18(19(22)9-16)13-4-5-14-10-27(11-15(14)8-13)20-23-25-26(2)24-20;1-2-17-12-27(21(28)29-17)16-5-6-18(19(22)8-16)13-3-4-14-10-26(11-15(14)7-13)20-9-23-25-24-20/h4-6,8-10,19H,3,7,11-13H2,1-2H3;3-5,7-10,19H,2,6,11-13H2,1H3,(H,25,26,27);4-9,17H,3,10-12H2,1-2H3;3-9,17H,2,10-12H2,1H3,(H,23,24,25)/t2*19-;2*17-/m0000/s1
• InChIKey: GXJVGLHWLUXVCP-FADHQJSHSA-N
• XLogP: 14.19
• TPSA: 335.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1687.79
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one (CID 158394635) is (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one is CC(=O)CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3cn[nH]n3)C4)c(F)c2)C(=O)O1.CC(=O)CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3nnn(C)n3)C4)c(F)c2)C(=O)O1.CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3cn[nH]n3)C4)c(F)c2)C(=O)O1.CC[C@H]1CN(c2ccc(-c3ccc4c(c3)CN(c3nnn(C)n3)C4)c(F)c2)C(=O)O1.

What is the InChIKey of (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?

The InChIKey is GXJVGLHWLUXVCP-FADHQJSHSA-N. The full InChI is InChI=1S/C23H23FN6O3.C23H22FN5O3.C21H21FN6O2.C21H20FN5O2/c1-14(31)3-7-19-13-30(23(32)33-19)18-6-8-20(21(24)10-18)15-4-5-16-11-29(12-17(16)9-15)22-25-27-28(2)26-22;1-14(30)2-6-19-13-29(23(31)32-19)18-5-7-20(21(24)9-18)15-3-4-16-11-28(12-17(16)8-15)22-10-25-27-26-22;1-3-17-12-28(21(29)30-17)16-6-7-18(19(22)9-16)13-4-5-14-10-27(11-15(14)8-13)20-23-25-26(2)24-20;1-2-17-12-27(21(28)29-17)16-5-6-18(19(22)8-16)13-3-4-14-10-26(11-15(14)7-13)20-9-23-25-24-20/h4-6,8-10,19H,3,7,11-13H2,1-2H3;3-5,7-10,19H,2,6,11-13H2,1H3,(H,25,26,27);4-9,17H,3,10-12H2,1-2H3;3-9,17H,2,10-12H2,1H3,(H,23,24,25)/t2*19-;2*17-/m0000/s1.

What are the key properties of (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?

(5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one has a molecular weight of 1687.79 g/mol, XLogP of 14.19, 20 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-ethyl-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[3-fluoro-4-[2-(2H-triazol-4-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 158394635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).