N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one

C114H120ClF3N6O21 — CID 159448225

IUPACN-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one
SMILESC.C.C.COC(=O)CCC(C(=O)N1C(=O)OC[C@H]1c1ccccc1)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1.COC(=O)CCCC(=O)Cl.COC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.COC(=O)CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1.Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.O=C1N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C35H33FN2O6.C26H24FNO4.C20H16FNO.C15H17NO5.C9H9NO2.C6H9ClO3.3CH4/c1-42-32(39)21-20-30(34(40)38-31(23-44-35(38)41)25-10-6-3-7-11-25)33(37-28-16-14-27(36)15-17-28)26-12-18-29(19-13-26)43-22-24-8-4-2-5-9-24;1-31-24(29)16-15-23-25(28(26(23)30)21-11-9-20(27)10-12-21)19-7-13-22(14-8-19)32-17-18-5-3-2-4-6-18;21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17;1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11;11-9-10-8(6-12-9)7-4-2-1-3-5-7;1-10-6(9)4-2-3-5(7)8;;;/h2-19,30-31,33,37H,20-23H2,1H3;2-14,23,25H,15-17H2,1H3;1-14H,15H2;2-4,6-7,12H,5,8-10H2,1H3;1-5,8H,6H2,(H,10,11);2-4H2,1H3;3*1H4/b;;22-14+;;;;;;/t30?,31-,33?;23-,25-;;12-;8-;;;;/m01.11..../s1
InChIKeyLTANKXRQRCXTQD-JTFQEZSJSA-N
MW2002.68 g/mol
LogP23.59
Rot. Bonds35

About N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one

N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 159448225) has the molecular formula C114H120ClF3N6O21 and a molecular weight of 2002.68 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID159448225
Molecular FormulaC114H120ClF3N6O21
Molecular Weight2002.68 g/mol
Exact Mass2000.81
IUPAC NameN-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one
SMILESC.C.C.COC(=O)CCC(C(=O)N1C(=O)OC[C@H]1c1ccccc1)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1.COC(=O)CCCC(=O)Cl.COC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.COC(=O)CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1.Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.O=C1N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C35H33FN2O6.C26H24FNO4.C20H16FNO.C15H17NO5.C9H9NO2.C6H9ClO3.3CH4/c1-42-32(39)21-20-30(34(40)38-31(23-44-35(38)41)25-10-6-3-7-11-25)33(37-28-16-14-27(36)15-17-28)26-12-18-29(19-13-26)43-22-24-8-4-2-5-9-24;1-31-24(29)16-15-23-25(28(26(23)30)21-11-9-20(27)10-12-21)19-7-13-22(14-8-19)32-17-18-5-3-2-4-6-18;21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17;1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11;11-9-10-8(6-12-9)7-4-2-1-3-5-7;1-10-6(9)4-2-3-5(7)8;;;/h2-19,30-31,33,37H,20-23H2,1H3;2-14,23,25H,15-17H2,1H3;1-14H,15H2;2-4,6-7,12H,5,8-10H2,1H3;1-5,8H,6H2,(H,10,11);2-4H2,1H3;3*1H4/b;;22-14+;;;;;;/t30?,31-,33?;23-,25-;;12-;8-;;;;/m01.11..../s1
InChIKeyLTANKXRQRCXTQD-JTFQEZSJSA-N
XLogP23.59
TPSA326.21 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.68
LogP ≤ 523.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one (CID 159448225) is N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one is C.C.C.COC(=O)CCC(C(=O)N1C(=O)OC[C@H]1c1ccccc1)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1.COC(=O)CCCC(=O)Cl.COC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.COC(=O)CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1.Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.O=C1N[C@@H](c2ccccc2)CO1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LTANKXRQRCXTQD-JTFQEZSJSA-N. The full InChI is InChI=1S/C35H33FN2O6.C26H24FNO4.C20H16FNO.C15H17NO5.C9H9NO2.C6H9ClO3.3CH4/c1-42-32(39)21-20-30(34(40)38-31(23-44-35(38)41)25-10-6-3-7-11-25)33(37-28-16-14-27(36)15-17-28)26-12-18-29(19-13-26)43-22-24-8-4-2-5-9-24;1-31-24(29)16-15-23-25(28(26(23)30)21-11-9-20(27)10-12-21)19-7-13-22(14-8-19)32-17-18-5-3-2-4-6-18;21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17;1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11;11-9-10-8(6-12-9)7-4-2-1-3-5-7;1-10-6(9)4-2-3-5(7)8;;;/h2-19,30-31,33,37H,20-23H2,1H3;2-14,23,25H,15-17H2,1H3;1-14H,15H2;2-4,6-7,12H,5,8-10H2,1H3;1-5,8H,6H2,(H,10,11);2-4H2,1H3;3*1H4/b;;22-14+;;;;;;/t30?,31-,33?;23-,25-;;12-;8-;;;;/m01.11..../s1.
What are the key properties of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one?
N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 2002.68 g/mol, XLogP of 23.59, 35 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine;methane;methyl 5-chloro-5-oxopentanoate;methyl 4-[(4-fluoroanilino)-(4-phenylmethoxyphenyl)methyl]-5-oxo-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;methyl 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoate;methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate;(4S)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159448225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).