(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine

C72H96F3N5O11Si — CID 160598631

IUPAC(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine
SMILESCOCN(C[Si](C)(C)C)C(C)(C)C.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1.Cc1ccc(/C=C(\F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C26H31FN2O4.C20H18FNO3.C16H22FNO3.C10H25NOSi/c1-25(2,3)28-15-22(19-10-12-21(32-4)13-11-19)26(27,17-28)23(30)29-20(16-33-24(29)31)14-18-8-6-5-7-9-18;1-14-7-9-16(10-8-14)12-18(21)19(23)22-17(13-25-20(22)24)11-15-5-3-2-4-6-15;1-15(2,3)18-9-13(16(17,10-18)14(19)20)11-5-7-12(21-4)8-6-11;1-10(2,3)11(8-12-4)9-13(5,6)7/h5-13,20,22H,14-17H2,1-4H3;2-10,12,17H,11,13H2,1H3;5-8,13H,9-10H2,1-4H3,(H,19,20);8-9H2,1-7H3/b;18-12-;;/t20-,22+,26+;17-;13-,16-;/m110./s1
InChIKeyRDYZCDIYNIVRDB-IKLRROTDSA-N
MW1292.66 g/mol
LogP13.34
Rot. Bonds16

About (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine

(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine (PubChem CID 160598631) has the molecular formula C72H96F3N5O11Si and a molecular weight of 1292.66 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine
PubChem CID160598631
Molecular FormulaC72H96F3N5O11Si
Molecular Weight1292.66 g/mol
Exact Mass1291.68
IUPAC Name(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine
SMILESCOCN(C[Si](C)(C)C)C(C)(C)C.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1.Cc1ccc(/C=C(\F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C26H31FN2O4.C20H18FNO3.C16H22FNO3.C10H25NOSi/c1-25(2,3)28-15-22(19-10-12-21(32-4)13-11-19)26(27,17-28)23(30)29-20(16-33-24(29)31)14-18-8-6-5-7-9-18;1-14-7-9-16(10-8-14)12-18(21)19(23)22-17(13-25-20(22)24)11-15-5-3-2-4-6-15;1-15(2,3)18-9-13(16(17,10-18)14(19)20)11-5-7-12(21-4)8-6-11;1-10(2,3)11(8-12-4)9-13(5,6)7/h5-13,20,22H,14-17H2,1-4H3;2-10,12,17H,11,13H2,1H3;5-8,13H,9-10H2,1-4H3,(H,19,20);8-9H2,1-7H3/b;18-12-;;/t20-,22+,26+;17-;13-,16-;/m110./s1
InChIKeyRDYZCDIYNIVRDB-IKLRROTDSA-N
XLogP13.34
TPSA167.93 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.66
LogP ≤ 513.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'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)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine with MolForge

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Related Compounds

CID 158210122
CID 158210122
(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;bis(methyl (3R,4R)-1-cyclohexyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate);methyl (3R,4R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 159086027
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyloxolan-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoic acid;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine;4-methylbenzaldehyde
CID 159273569
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(3S,4S)-1-benzyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;tert-butyl (3R,4R)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate;(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 161311823

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine?
The IUPAC name of (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine (CID 160598631) is (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine.
What is the SMILES notation for (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine?
The canonical SMILES for (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine is COCN(C[Si](C)(C)C)C(C)(C)C.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.COc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1.Cc1ccc(/C=C(\F)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine?
The InChIKey is RDYZCDIYNIVRDB-IKLRROTDSA-N. The full InChI is InChI=1S/C26H31FN2O4.C20H18FNO3.C16H22FNO3.C10H25NOSi/c1-25(2,3)28-15-22(19-10-12-21(32-4)13-11-19)26(27,17-28)23(30)29-20(16-33-24(29)31)14-18-8-6-5-7-9-18;1-14-7-9-16(10-8-14)12-18(21)19(23)22-17(13-25-20(22)24)11-15-5-3-2-4-6-15;1-15(2,3)18-9-13(16(17,10-18)14(19)20)11-5-7-12(21-4)8-6-11;1-10(2,3)11(8-12-4)9-13(5,6)7/h5-13,20,22H,14-17H2,1-4H3;2-10,12,17H,11,13H2,1H3;5-8,13H,9-10H2,1-4H3,(H,19,20);8-9H2,1-7H3/b;18-12-;;/t20-,22+,26+;17-;13-,16-;/m110./s1.
What are the key properties of (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine?
(4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine has a molecular weight of 1292.66 g/mol, XLogP of 13.34, 16 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(Z)-2-fluoro-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one;(3R,4R)-1-tert-butyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;N-(methoxymethyl)-2-methyl-N-(trimethylsilylmethyl)propan-2-amine is sourced from PubChem (CID 160598631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).