(4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one

C83H81F8N9O13Si — CID 158534898

IUPAC(4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one
SMILESCCOC(=O)/C(F)=C/c1ccc(F)cn1.COCN(Cc1ccccc1)C[Si](C)(C)C.O=C(O)/C(F)=C/c1ccc(F)cn1.O=C1N[C@H](c2ccccc2)CO1.O=C1OC[C@@H](c2ccccc2)N1C(=O)/C(F)=C/c1ccc(F)cn1.O=C1OC[C@@H](c2ccccc2)N1C(=O)[C@]1(F)CN(Cc2ccccc2)C[C@H]1c1ccc(F)cn1
InChIInChI=1S/C26H23F2N3O3.C17H12F2N2O3.C13H23NOSi.C10H9F2NO2.C9H9NO2.C8H5F2NO2/c27-20-11-12-22(29-13-20)21-15-30(14-18-7-3-1-4-8-18)17-26(21,28)24(32)31-23(16-34-25(31)33)19-9-5-2-6-10-19;18-12-6-7-13(20-9-12)8-14(19)16(22)21-15(10-24-17(21)23)11-4-2-1-3-5-11;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13;1-2-15-10(14)9(12)5-8-4-3-7(11)6-13-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7;9-5-1-2-6(11-4-5)3-7(10)8(12)13/h1-13,21,23H,14-17H2;1-9,15H,10H2;5-9H,10-12H2,1-4H3;3-6H,2H2,1H3;1-5,8H,6H2,(H,10,11);1-4H,(H,12,13)/b;14-8-;;9-5-;;7-3-/t21-,23-,26-;15-;;;8-;/m00..0./s1
InChIKeyHNVAAZZVSOLKIJ-IQQNLTOTSA-N
MW1592.68 g/mol
LogP15.65
Rot. Bonds20

About (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 158534898) has the molecular formula C83H81F8N9O13Si and a molecular weight of 1592.68 g/mol. Its IUPAC name is (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID158534898
Molecular FormulaC83H81F8N9O13Si
Molecular Weight1592.68 g/mol
Exact Mass1591.56
IUPAC Name(4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one
SMILESCCOC(=O)/C(F)=C/c1ccc(F)cn1.COCN(Cc1ccccc1)C[Si](C)(C)C.O=C(O)/C(F)=C/c1ccc(F)cn1.O=C1N[C@H](c2ccccc2)CO1.O=C1OC[C@@H](c2ccccc2)N1C(=O)/C(F)=C/c1ccc(F)cn1.O=C1OC[C@@H](c2ccccc2)N1C(=O)[C@]1(F)CN(Cc2ccccc2)C[C@H]1c1ccc(F)cn1
InChIInChI=1S/C26H23F2N3O3.C17H12F2N2O3.C13H23NOSi.C10H9F2NO2.C9H9NO2.C8H5F2NO2/c27-20-11-12-22(29-13-20)21-15-30(14-18-7-3-1-4-8-18)17-26(21,28)24(32)31-23(16-34-25(31)33)19-9-5-2-6-10-19;18-12-6-7-13(20-9-12)8-14(19)16(22)21-15(10-24-17(21)23)11-4-2-1-3-5-11;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13;1-2-15-10(14)9(12)5-8-4-3-7(11)6-13-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7;9-5-1-2-6(11-4-5)3-7(10)8(12)13/h1-13,21,23H,14-17H2;1-9,15H,10H2;5-9H,10-12H2,1-4H3;3-6H,2H2,1H3;1-5,8H,6H2,(H,10,11);1-4H,(H,12,13)/b;14-8-;;9-5-;;7-3-/t21-,23-,26-;15-;;;8-;/m00..0./s1
InChIKeyHNVAAZZVSOLKIJ-IQQNLTOTSA-N
XLogP15.65
TPSA262.42 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001592.68
LogP ≤ 515.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde
CID 158224184
(4R)-3-[(3S,4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59960747
ethyl (Z)-3-(4-methoxy-2,6-dimethylphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]prop-2-enoate
CID 40557639
ethyl (3'S,4R)-1'-benzyl-8-methoxyspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-carboxylate;ethyl (2E)-2-(8-methoxy-2,3-dihydrochromen-4-ylidene)acetate;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
CID 161082059
1-(1-benzyl-4-ethylpyrrolidin-3-yl)ethanone;hex-3-en-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
CID 159622637
ethyl (4R)-1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)pyrrolidine-3-carboxylate;ethyl (E)-3-(2-methylphenyl)prop-2-enoate;N-(methoxymethyl)-1-(4-methoxyphenyl)-N-(trimethylsilylmethyl)methanamine
CID 91203774
(4R)-3-[1-benzyl-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 69418941
(4R)-3-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 153407374
2-chloro-1-[(2S)-7-[(4-fluorophenyl)methyl]-2-phenyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
CID 167526480
(3aR,9bR)-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 72911741
ethyl (1R,5S)-3-benzyl-8-oxo-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 98073444
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one (CID 158534898) is (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one is CCOC(=O)/C(F)=C/c1ccc(F)cn1.COCN(Cc1ccccc1)C[Si](C)(C)C.O=C(O)/C(F)=C/c1ccc(F)cn1.O=C1N[C@H](c2ccccc2)CO1.O=C1OC[C@@H](c2ccccc2)N1C(=O)/C(F)=C/c1ccc(F)cn1.O=C1OC[C@@H](c2ccccc2)N1C(=O)[C@]1(F)CN(Cc2ccccc2)C[C@H]1c1ccc(F)cn1.
What is the InChIKey of (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HNVAAZZVSOLKIJ-IQQNLTOTSA-N. The full InChI is InChI=1S/C26H23F2N3O3.C17H12F2N2O3.C13H23NOSi.C10H9F2NO2.C9H9NO2.C8H5F2NO2/c27-20-11-12-22(29-13-20)21-15-30(14-18-7-3-1-4-8-18)17-26(21,28)24(32)31-23(16-34-25(31)33)19-9-5-2-6-10-19;18-12-6-7-13(20-9-12)8-14(19)16(22)21-15(10-24-17(21)23)11-4-2-1-3-5-11;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13;1-2-15-10(14)9(12)5-8-4-3-7(11)6-13-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7;9-5-1-2-6(11-4-5)3-7(10)8(12)13/h1-13,21,23H,14-17H2;1-9,15H,10H2;5-9H,10-12H2,1-4H3;3-6H,2H2,1H3;1-5,8H,6H2,(H,10,11);1-4H,(H,12,13)/b;14-8-;;9-5-;;7-3-/t21-,23-,26-;15-;;;8-;/m00..0./s1.
What are the key properties of (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 1592.68 g/mol, XLogP of 15.65, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one;ethyl (Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoate;(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoic acid;(4R)-3-[(Z)-2-fluoro-3-(5-fluoro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;(4R)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 158534898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).