methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate

C21H19NO4 — CID 23361367

IUPACmethyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1OCc1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C21H19NO4/c1-15-21(17-9-4-3-5-10-17)22-19(26-15)14-25-18-11-7-6-8-16(18)12-13-20(23)24-2/h3-13H,14H2,1-2H3/b13-12+
InChIKeyHGXBCWRRVHDPOA-OUKQBFOZSA-N
MW349.39 g/mol
LogP4.42
Rot. Bonds6

About methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate

methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate (PubChem CID 23361367) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate
PubChem CID23361367
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Namemethyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccccc1OCc1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C21H19NO4/c1-15-21(17-9-4-3-5-10-17)22-19(26-15)14-25-18-11-7-6-8-16(18)12-13-20(23)24-2/h3-13H,14H2,1-2H3/b13-12+
InChIKeyHGXBCWRRVHDPOA-OUKQBFOZSA-N
XLogP4.42
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[2-(5-acetyloxypentoxy)phenyl]prop-2-enoate
CID 67780195
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 169481272
N-hydroxy-6-(5-methyl-4-phenyl-1,3-oxazol-2-yl)hexanamide
CID 11616233
(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 82184699
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
CID 119094981
3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
CID 76905301
(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1182206
2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
CID 10069380

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate (CID 23361367) is methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccccc1OCc1nc(-c2ccccc2)c(C)o1.
What is the InChIKey of methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate?
The InChIKey is HGXBCWRRVHDPOA-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-21(17-9-4-3-5-10-17)22-19(26-15)14-25-18-11-7-6-8-16(18)12-13-20(23)24-2/h3-13H,14H2,1-2H3/b13-12+.
What are the key properties of methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate?
methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate has a molecular weight of 349.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 23361367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).