methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one

C62H51F9N12O12S — CID 158732173

IUPACmethane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
SMILESC.Cc1ccc(S(=O)(=O)N2C(=O)OCC2c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)cc1.O=C1NC(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CO1.O=C1NC(c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1
InChIInChI=1S/C25H19F3N4O5S.C18H15F3N4O4.C18H13F3N4O3.CH4/c1-15-6-12-18(13-7-15)38(34,35)32-21(14-36-24(32)33)23-31-30-22(37-23)19-4-2-3-5-20(19)29-17-10-8-16(9-11-17)25(26,27)28;19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-25-16(27)14-9-29-17(28)23-14;19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15-24-25-16(28-15)14-9-27-17(26)23-14;/h2-13,21,29H,14H2,1H3;1-8,14,22H,9H2,(H,23,28)(H,24,26)(H,25,27);1-8,14,22H,9H2,(H,23,26);1H4
InChIKeyILFPUSBQQVZZFL-UHFFFAOYSA-N
MW1359.21 g/mol
LogP12.92
Rot. Bonds14

About methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one

methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 158732173) has the molecular formula C62H51F9N12O12S and a molecular weight of 1359.21 g/mol. Its IUPAC name is methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namemethane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID158732173
Molecular FormulaC62H51F9N12O12S
Molecular Weight1359.21 g/mol
Exact Mass1358.33
IUPAC Namemethane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
SMILESC.Cc1ccc(S(=O)(=O)N2C(=O)OCC2c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)cc1.O=C1NC(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CO1.O=C1NC(c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1
InChIInChI=1S/C25H19F3N4O5S.C18H15F3N4O4.C18H13F3N4O3.CH4/c1-15-6-12-18(13-7-15)38(34,35)32-21(14-36-24(32)33)23-31-30-22(37-23)19-4-2-3-5-20(19)29-17-10-8-16(9-11-17)25(26,27)28;19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-25-16(27)14-9-29-17(28)23-14;19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15-24-25-16(28-15)14-9-27-17(26)23-14;/h2-13,21,29H,14H2,1H3;1-8,14,22H,9H2,(H,23,28)(H,24,26)(H,25,27);1-8,14,22H,9H2,(H,23,26);1H4
InChIKeyILFPUSBQQVZZFL-UHFFFAOYSA-N
XLogP12.92
TPSA312.47 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001359.21
LogP ≤ 512.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one (CID 158732173) is methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one is C.Cc1ccc(S(=O)(=O)N2C(=O)OCC2c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)cc1.O=C1NC(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CO1.O=C1NC(c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1.
What is the InChIKey of methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ILFPUSBQQVZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O5S.C18H15F3N4O4.C18H13F3N4O3.CH4/c1-15-6-12-18(13-7-15)38(34,35)32-21(14-36-24(32)33)23-31-30-22(37-23)19-4-2-3-5-20(19)29-17-10-8-16(9-11-17)25(26,27)28;19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-25-16(27)14-9-29-17(28)23-14;19-18(20,21)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15-24-25-16(28-15)14-9-27-17(26)23-14;/h2-13,21,29H,14H2,1H3;1-8,14,22H,9H2,(H,23,28)(H,24,26)(H,25,27);1-8,14,22H,9H2,(H,23,26);1H4.
What are the key properties of methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one?
methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 1359.21 g/mol, XLogP of 12.92, 14 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(4-methylphenyl)sulfonyl-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one;2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide;4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158732173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).