(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one

C138H172N8O20 — CID 157437315

IUPAC(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1.C=CC[C@@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O.C=CC[C@H](CN)Cc1ccccc1.C=CC[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1.C=CC[C@H](CO)Cc1ccccc1.C=CC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1c1ccccc1.CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)CC1O.CC(C)(C)OC(=O)NCC(Cc1ccccc1)CC(O)CO.O=C1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C21H21NO3.C20H19NO2.C17H27NO4.C17H25NO2.C16H23NO3.C14H15NO3.C12H17N.C12H16O.C9H9NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20(23)22-19(15-25-21(22)24)17-12-7-4-8-13-17;1-2-8-16(13-15-9-4-3-5-10-15)14-21-19(22)17-11-6-7-12-18(17)20(21)23;1-17(2,3)22-16(21)18-11-14(10-15(20)12-19)9-13-7-5-4-6-8-13;1-5-9-15(12-14-10-7-6-8-11-14)13-18-16(19)20-17(2,3)4;1-16(2,3)20-15(19)17-11-13(10-14(17)18)9-12-7-5-4-6-8-12;1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11;2*1-2-6-12(10-13)9-11-7-4-3-5-8-11;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2-8,10-13,18-19H,1,9,14-15H2;2-7,9-12,16H,1,8,13-14H2;4-8,14-15,19-20H,9-12H2,1-3H3,(H,18,21);5-8,10-11,15H,1,9,12-13H2,2-4H3,(H,18,19);4-8,13-14,18H,9-11H2,1-3H3;2,4-8,12H,1,3,9-10H2;2-5,7-8,12H,1,6,9-10,13H2;2-5,7-8,12-13H,1,6,9-10H2;1-5,8H,6H2,(H,10,11)/t18-,19+;16-;;15-;13-,14?;3*12-;8-/m10.010000/s1
InChIKeyBRGJSCVJEQXMRX-SGOYNEBJSA-N
MW2262.93 g/mol
LogP25.66
Rot. Bonds42

About (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one

(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 157437315) has the molecular formula C138H172N8O20 and a molecular weight of 2262.93 g/mol. Its IUPAC name is (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID157437315
Molecular FormulaC138H172N8O20
Molecular Weight2262.93 g/mol
Exact Mass2261.27
IUPAC Name(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1.C=CC[C@@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O.C=CC[C@H](CN)Cc1ccccc1.C=CC[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1.C=CC[C@H](CO)Cc1ccccc1.C=CC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1c1ccccc1.CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)CC1O.CC(C)(C)OC(=O)NCC(Cc1ccccc1)CC(O)CO.O=C1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C21H21NO3.C20H19NO2.C17H27NO4.C17H25NO2.C16H23NO3.C14H15NO3.C12H17N.C12H16O.C9H9NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20(23)22-19(15-25-21(22)24)17-12-7-4-8-13-17;1-2-8-16(13-15-9-4-3-5-10-15)14-21-19(22)17-11-6-7-12-18(17)20(21)23;1-17(2,3)22-16(21)18-11-14(10-15(20)12-19)9-13-7-5-4-6-8-13;1-5-9-15(12-14-10-7-6-8-11-14)13-18-16(19)20-17(2,3)4;1-16(2,3)20-15(19)17-11-13(10-14(17)18)9-12-7-5-4-6-8-12;1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11;2*1-2-6-12(10-13)9-11-7-4-3-5-8-11;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2-8,10-13,18-19H,1,9,14-15H2;2-7,9-12,16H,1,8,13-14H2;4-8,14-15,19-20H,9-12H2,1-3H3,(H,18,21);5-8,10-11,15H,1,9,12-13H2,2-4H3,(H,18,19);4-8,13-14,18H,9-11H2,1-3H3;2,4-8,12H,1,3,9-10H2;2-5,7-8,12H,1,6,9-10,13H2;2-5,7-8,12-13H,1,6,9-10H2;1-5,8H,6H2,(H,10,11)/t18-,19+;16-;;15-;13-,14?;3*12-;8-/m10.010000/s1
InChIKeyBRGJSCVJEQXMRX-SGOYNEBJSA-N
XLogP25.66
TPSA382.07 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002262.93
LogP ≤ 525.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one (CID 157437315) is (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one is C=CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1.C=CC[C@@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O.C=CC[C@H](CN)Cc1ccccc1.C=CC[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1.C=CC[C@H](CO)Cc1ccccc1.C=CC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1c1ccccc1.CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)CC1O.CC(C)(C)OC(=O)NCC(Cc1ccccc1)CC(O)CO.O=C1N[C@H](c2ccccc2)CO1.
What is the InChIKey of (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BRGJSCVJEQXMRX-SGOYNEBJSA-N. The full InChI is InChI=1S/C21H21NO3.C20H19NO2.C17H27NO4.C17H25NO2.C16H23NO3.C14H15NO3.C12H17N.C12H16O.C9H9NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20(23)22-19(15-25-21(22)24)17-12-7-4-8-13-17;1-2-8-16(13-15-9-4-3-5-10-15)14-21-19(22)17-11-6-7-12-18(17)20(21)23;1-17(2,3)22-16(21)18-11-14(10-15(20)12-19)9-13-7-5-4-6-8-13;1-5-9-15(12-14-10-7-6-8-11-14)13-18-16(19)20-17(2,3)4;1-16(2,3)20-15(19)17-11-13(10-14(17)18)9-12-7-5-4-6-8-12;1-2-3-9-13(16)15-12(10-18-14(15)17)11-7-5-4-6-8-11;2*1-2-6-12(10-13)9-11-7-4-3-5-8-11;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2-8,10-13,18-19H,1,9,14-15H2;2-7,9-12,16H,1,8,13-14H2;4-8,14-15,19-20H,9-12H2,1-3H3,(H,18,21);5-8,10-11,15H,1,9,12-13H2,2-4H3,(H,18,19);4-8,13-14,18H,9-11H2,1-3H3;2,4-8,12H,1,3,9-10H2;2-5,7-8,12H,1,6,9-10,13H2;2-5,7-8,12-13H,1,6,9-10H2;1-5,8H,6H2,(H,10,11)/t18-,19+;16-;;15-;13-,14?;3*12-;8-/m10.010000/s1.
What are the key properties of (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one?
(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 2262.93 g/mol, XLogP of 25.66, 42 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 157437315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).