dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium

C69H76Cl2F4I3N4O8S5V — CID 157176901

IUPACdichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium
SMILESCc1ccc([C@@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1.ClCCl.I[V](I)I.O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1.Oc1ccc(/C=N/c2ccc(F)cc2)cc1.S.S.S.S.S
InChIInChI=1S/C35H34F2N2O3.C20H20FNO4.C13H10FNO.CH2Cl2.3HI.5H2S.V/c1-23-8-11-27(12-9-23)33(38-30-19-17-29(37)18-20-30)31(21-10-24(2)25-13-15-28(36)16-14-25)34(40)39-32(22-42-35(39)41)26-6-4-3-5-7-26;21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14;14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10;2-1-3;;;;;;;;;/h3-9,11-20,24,31-33,38H,10,21-22H2,1-2H3;1-3,5-6,9-12,17-18,23H,4,7-8,13H2;1-9,16H;1H2;3*1H;5*1H2;/q;;;;;;;;;;;;+3/p-3/b;;15-9+;;;;;;;;;;/t24-,31+,32+,33+;17-,18+;;;;;;;;;;;/m01.........../s1
InChIKeyAOCRANDSIXSDRP-IIYYFPSGSA-K
MW1828.28 g/mol
LogP20.02
Rot. Bonds18

About dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium

dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium (PubChem CID 157176901) has the molecular formula C69H76Cl2F4I3N4O8S5V and a molecular weight of 1828.28 g/mol. Its IUPAC name is dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium.

Molecular Properties

Compound Namedichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium
PubChem CID157176901
Molecular FormulaC69H76Cl2F4I3N4O8S5V
Molecular Weight1828.28 g/mol
Exact Mass1826.02
IUPAC Namedichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium
SMILESCc1ccc([C@@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1.ClCCl.I[V](I)I.O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1.Oc1ccc(/C=N/c2ccc(F)cc2)cc1.S.S.S.S.S
InChIInChI=1S/C35H34F2N2O3.C20H20FNO4.C13H10FNO.CH2Cl2.3HI.5H2S.V/c1-23-8-11-27(12-9-23)33(38-30-19-17-29(37)18-20-30)31(21-10-24(2)25-13-15-28(36)16-14-25)34(40)39-32(22-42-35(39)41)26-6-4-3-5-7-26;21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14;14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10;2-1-3;;;;;;;;;/h3-9,11-20,24,31-33,38H,10,21-22H2,1-2H3;1-3,5-6,9-12,17-18,23H,4,7-8,13H2;1-9,16H;1H2;3*1H;5*1H2;/q;;;;;;;;;;;;+3/p-3/b;;15-9+;;;;;;;;;;/t24-,31+,32+,33+;17-,18+;;;;;;;;;;;/m01.........../s1
InChIKeyAOCRANDSIXSDRP-IIYYFPSGSA-K
XLogP20.02
TPSA158.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001828.28
LogP ≤ 520.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium with MolForge

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Related Compounds

3-[2-[(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 21035795
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
(4S)-3-[(2R,5S)-2-[(S)-(4-aminophenyl)-(4-fluoroanilino)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 88993087
(4R)-3-[(2S,5S)-2-[(R)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 124633394
(4S)-3-[(2S,5R)-2-[(R)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 124931411
4-[1-(4-fluoroanilino)-5-(4-fluorophenyl)-2-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)-5-trimethylsilyloxypentyl]benzonitrile
CID 18374577
(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-(4-iodoanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139094573
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
[4-[[5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)-1-(4-methoxyphenyl)-2-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)pentyl]amino]phenyl]methylcarbamic acid
CID 68837162
dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phosphanyl-1,3-oxazolidin-2-one
CID 71228944
(4S)-3-[(2R,5R)-2-[(S)-[2-butoxy-4-(butoxymethyl)phenyl]-(4-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-[hydroxy(dimethyl)silyl]-7-methyloctanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71052206

Frequently Asked Questions

What is the IUPAC name of dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium?
The IUPAC name of dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium (CID 157176901) is dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium.
What is the SMILES notation for dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium?
The canonical SMILES for dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium is Cc1ccc([C@@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1.ClCCl.I[V](I)I.O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1.Oc1ccc(/C=N/c2ccc(F)cc2)cc1.S.S.S.S.S.
What is the InChIKey of dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium?
The InChIKey is AOCRANDSIXSDRP-IIYYFPSGSA-K. The full InChI is InChI=1S/C35H34F2N2O3.C20H20FNO4.C13H10FNO.CH2Cl2.3HI.5H2S.V/c1-23-8-11-27(12-9-23)33(38-30-19-17-29(37)18-20-30)31(21-10-24(2)25-13-15-28(36)16-14-25)34(40)39-32(22-42-35(39)41)26-6-4-3-5-7-26;21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14;14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10;2-1-3;;;;;;;;;/h3-9,11-20,24,31-33,38H,10,21-22H2,1-2H3;1-3,5-6,9-12,17-18,23H,4,7-8,13H2;1-9,16H;1H2;3*1H;5*1H2;/q;;;;;;;;;;;;+3/p-3/b;;15-9+;;;;;;;;;;/t24-,31+,32+,33+;17-,18+;;;;;;;;;;;/m01.........../s1.
What are the key properties of dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium?
dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium has a molecular weight of 1828.28 g/mol, XLogP of 20.02, 18 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-methylphenyl)methyl]-5-(4-fluorophenyl)hexanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one;4-[(4-fluorophenyl)iminomethyl]phenol;sulfane;triiodovanadium is sourced from PubChem (CID 157176901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).