(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C34H45NO6 — CID 11478575

IUPAC(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@](C)(OCc1ccccc1)[C@@H](COCc1ccccc1)O[C@H](CC(=C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C34H45NO6/c1-7-8-19-34(6,40-22-28-17-13-10-14-18-28)31(24-38-21-27-15-11-9-12-16-27)41-30(20-25(2)3)32(36)35-29(26(4)5)23-39-33(35)37/h7,9-18,26,29-31H,1-2,8,19-24H2,3-6H3/t29-,30-,31-,34-/m1/s1
InChIKeyBBHWJSBZPZILKJ-AOJVRKHOSA-N
MW563.74 g/mol
LogP6.87
Rot. Bonds17

About (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11478575) has the molecular formula C34H45NO6 and a molecular weight of 563.74 g/mol. Its IUPAC name is (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11478575
Molecular FormulaC34H45NO6
Molecular Weight563.74 g/mol
Exact Mass563.32
IUPAC Name(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@](C)(OCc1ccccc1)[C@@H](COCc1ccccc1)O[C@H](CC(=C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C34H45NO6/c1-7-8-19-34(6,40-22-28-17-13-10-14-18-28)31(24-38-21-27-15-11-9-12-16-27)41-30(20-25(2)3)32(36)35-29(26(4)5)23-39-33(35)37/h7,9-18,26,29-31H,1-2,8,19-24H2,3-6H3/t29-,30-,31-,34-/m1/s1
InChIKeyBBHWJSBZPZILKJ-AOJVRKHOSA-N
XLogP6.87
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-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

(2S,5R,8S,11R,14S,17R,20S,23R)-7,11,13,19-tetramethyl-2,8,14,20-tetrakis(2-methylpropyl)-5,17-diphenyl-4,10,16,22-tetraoxa-1,7,13,19-tetrazabicyclo[21.2.1]hexacosane-3,6,9,12,15,18,21,26-octone
CID 44305276
cyclo[N(Me)Leu-D-OAla-N(Me)Leu-D-OPhg-Pro-D-OAla-N(Me)Leu-D-OPhg]
CID 44305403
Boc-D-N(Me)Ala-ONle(Me)-D-N(Me)Ala-ONle(Me)-OBn
CID 171351454
(S)-(+)-4-benzyl-3-benzyloxyacetyl-2-oxazolidinone
CID 11001904
2-Oxazolidinone, 3-[(phenylmethoxy)acetyl]-4-(phenylmethyl)-, (4S)-
CID 10947332
(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11118383
(4R,5S)-3-[(E,2R)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11079493
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825
(4R,5S)-3-[(E,2S)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 134905357
3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
CID 134945067
(4S,5R)-3-[(2S)-2-fluoro-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135056188
tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-phenylmethoxyethyl]-1,3-oxazolidine-3-carboxylate
CID 10315806

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11478575) is (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCC[C@@](C)(OCc1ccccc1)[C@@H](COCc1ccccc1)O[C@H](CC(=C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BBHWJSBZPZILKJ-AOJVRKHOSA-N. The full InChI is InChI=1S/C34H45NO6/c1-7-8-19-34(6,40-22-28-17-13-10-14-18-28)31(24-38-21-27-15-11-9-12-16-27)41-30(20-25(2)3)32(36)35-29(26(4)5)23-39-33(35)37/h7,9-18,26,29-31H,1-2,8,19-24H2,3-6H3/t29-,30-,31-,34-/m1/s1.
What are the key properties of (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 563.74 g/mol, XLogP of 6.87, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11478575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).