benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate

C60H60F2N2O12 — CID 159842341

IUPACbenzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate
SMILESCCC(=O)OC[C@H]1CO1.CCc1ccc(Oc2ccc(N3C[C@H](CO)OC3=O)cc2F)c(OCc2ccccc2)c1.CCc1ccc(Oc2ccc(NC(=O)OCc3ccccc3)cc2F)c(OCc2ccccc2)c1
InChIInChI=1S/C29H26FNO4.C25H24FNO5.C6H10O3/c1-2-21-13-15-27(28(17-21)33-19-22-9-5-3-6-10-22)35-26-16-14-24(18-25(26)30)31-29(32)34-20-23-11-7-4-8-12-23;1-2-17-8-10-23(24(12-17)30-16-18-6-4-3-5-7-18)32-22-11-9-19(13-21(22)26)27-14-20(15-28)31-25(27)29;1-2-6(7)9-4-5-3-8-5/h3-18H,2,19-20H2,1H3,(H,31,32);3-13,20,28H,2,14-16H2,1H3;5H,2-4H2,1H3/t;20-;5-/m.11/s1
InChIKeyNOVKSXVWQQMTFW-FUYCUFMVSA-N
MW1039.14 g/mol
LogP12.92
Rot. Bonds20

About benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate

benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate (PubChem CID 159842341) has the molecular formula C60H60F2N2O12 and a molecular weight of 1039.14 g/mol. Its IUPAC name is benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate.

Molecular Properties

Compound Namebenzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate
PubChem CID159842341
Molecular FormulaC60H60F2N2O12
Molecular Weight1039.14 g/mol
Exact Mass1038.41
IUPAC Namebenzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate
SMILESCCC(=O)OC[C@H]1CO1.CCc1ccc(Oc2ccc(N3C[C@H](CO)OC3=O)cc2F)c(OCc2ccccc2)c1.CCc1ccc(Oc2ccc(NC(=O)OCc3ccccc3)cc2F)c(OCc2ccccc2)c1
InChIInChI=1S/C29H26FNO4.C25H24FNO5.C6H10O3/c1-2-21-13-15-27(28(17-21)33-19-22-9-5-3-6-10-22)35-26-16-14-24(18-25(26)30)31-29(32)34-20-23-11-7-4-8-12-23;1-2-17-8-10-23(24(12-17)30-16-18-6-4-3-5-7-18)32-22-11-9-19(13-21(22)26)27-14-20(15-28)31-25(27)29;1-2-6(7)9-4-5-3-8-5/h3-18H,2,19-20H2,1H3,(H,31,32);3-13,20,28H,2,14-16H2,1H3;5H,2-4H2,1H3/t;20-;5-/m.11/s1
InChIKeyNOVKSXVWQQMTFW-FUYCUFMVSA-N
XLogP12.92
TPSA163.85 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.14
LogP ≤ 512.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate with MolForge

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Related Compounds

N'-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]propane-1,3-diamine
CID 59191220
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
benzyl 4-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 91599707
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol;3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoroanilino]propan-1-ol;methane
CID 159701037
benzyl N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16920837
benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
CID 11232635
(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 142699895
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
(5R)-3-[4-[(1R,5S)-6-(benzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 91257464
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
CID 169175352

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate?
The IUPAC name of benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate (CID 159842341) is benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate.
What is the SMILES notation for benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate?
The canonical SMILES for benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate is CCC(=O)OC[C@H]1CO1.CCc1ccc(Oc2ccc(N3C[C@H](CO)OC3=O)cc2F)c(OCc2ccccc2)c1.CCc1ccc(Oc2ccc(NC(=O)OCc3ccccc3)cc2F)c(OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate?
The InChIKey is NOVKSXVWQQMTFW-FUYCUFMVSA-N. The full InChI is InChI=1S/C29H26FNO4.C25H24FNO5.C6H10O3/c1-2-21-13-15-27(28(17-21)33-19-22-9-5-3-6-10-22)35-26-16-14-24(18-25(26)30)31-29(32)34-20-23-11-7-4-8-12-23;1-2-17-8-10-23(24(12-17)30-16-18-6-4-3-5-7-18)32-22-11-9-19(13-21(22)26)27-14-20(15-28)31-25(27)29;1-2-6(7)9-4-5-3-8-5/h3-18H,2,19-20H2,1H3,(H,31,32);3-13,20,28H,2,14-16H2,1H3;5H,2-4H2,1H3/t;20-;5-/m.11/s1.
What are the key properties of benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate?
benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate has a molecular weight of 1039.14 g/mol, XLogP of 12.92, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]carbamate;(5R)-3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(2R)-oxiran-2-yl]methyl propanoate is sourced from PubChem (CID 159842341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).