methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate

C22H21NO5 — CID 122373659

IUPACmethyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
SMILESCOC(=O)[C@](O)(/C=C/c1ccccc1)Cc1cnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C22H21NO5/c1-26-18-10-6-9-17(13-18)20-23-15-19(28-20)14-22(25,21(24)27-2)12-11-16-7-4-3-5-8-16/h3-13,15,25H,14H2,1-2H3/b12-11+/t22-/m0/s1
InChIKeyWAPLHBZSEXFKAQ-LEQVUBRHSA-N
MW379.41 g/mol
LogP3.51
Rot. Bonds7

About methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate

methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate (PubChem CID 122373659) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
PubChem CID122373659
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Namemethyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
SMILESCOC(=O)[C@](O)(/C=C/c1ccccc1)Cc1cnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C22H21NO5/c1-26-18-10-6-9-17(13-18)20-23-15-19(28-20)14-22(25,21(24)27-2)12-11-16-7-4-3-5-8-16/h3-13,15,25H,14H2,1-2H3/b12-11+/t22-/m0/s1
InChIKeyWAPLHBZSEXFKAQ-LEQVUBRHSA-N
XLogP3.51
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate with MolForge

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Related Compounds

2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087128
(E)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503596
ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate
CID 13172203
benzhydryl (E,2S)-2-hydroxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]-4-phenylbut-3-enoate
CID 122395669
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
(E)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 744042
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 58804845
methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate
CID 21086154
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate?
The IUPAC name of methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate (CID 122373659) is methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate.
What is the SMILES notation for methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate?
The canonical SMILES for methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate is COC(=O)[C@](O)(/C=C/c1ccccc1)Cc1cnc(-c2cccc(OC)c2)o1.
What is the InChIKey of methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate?
The InChIKey is WAPLHBZSEXFKAQ-LEQVUBRHSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-18-10-6-9-17(13-18)20-23-15-19(28-20)14-22(25,21(24)27-2)12-11-16-7-4-3-5-8-16/h3-13,15,25H,14H2,1-2H3/b12-11+/t22-/m0/s1.
What are the key properties of methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate?
methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate has a molecular weight of 379.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate is sourced from PubChem (CID 122373659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).