[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

C24H21NO7 — CID 30608478

IUPAC[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C\C(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc(OC)c1OC
InChIInChI=1S/C24H21NO7/c1-27-21-10-15(11-22(28-2)24(21)29-3)8-9-23(26)30-14-17-13-20(32-25-17)19-12-16-6-4-5-7-18(16)31-19/h4-13H,14H2,1-3H3/b9-8-
InChIKeyNDEIKQOYCWZFAT-HJWRWDBZSA-N
MW435.43 g/mol
LogP4.87
Rot. Bonds8

About [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (PubChem CID 30608478) has the molecular formula C24H21NO7 and a molecular weight of 435.43 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
PubChem CID30608478
Molecular FormulaC24H21NO7
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C\C(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc(OC)c1OC
InChIInChI=1S/C24H21NO7/c1-27-21-10-15(11-22(28-2)24(21)29-3)8-9-23(26)30-14-17-13-20(32-25-17)19-12-16-6-4-5-7-18(16)31-19/h4-13H,14H2,1-3H3/b9-8-
InChIKeyNDEIKQOYCWZFAT-HJWRWDBZSA-N
XLogP4.87
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 8564710
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
CID 30608554
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608221
1,3-benzoxazol-2-ylmethyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 9459221
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
CID 30608484
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 9019172
1-benzofuran-2-ylmethyl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 27898901
(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16867162
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 41070520
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7542701

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
The IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (CID 30608478) is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate is COc1cc(/C=C\C(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc(OC)c1OC.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
The InChIKey is NDEIKQOYCWZFAT-HJWRWDBZSA-N. The full InChI is InChI=1S/C24H21NO7/c1-27-21-10-15(11-22(28-2)24(21)29-3)8-9-23(26)30-14-17-13-20(32-25-17)19-12-16-6-4-5-7-18(16)31-19/h4-13H,14H2,1-3H3/b9-8-.
What are the key properties of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate has a molecular weight of 435.43 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 30608478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).