[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate

C21H17NO5 — CID 30608484

IUPAC[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
SMILESC[C@@H](Oc1ccccc1)C(=O)OCc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C21H17NO5/c1-14(25-17-8-3-2-4-9-17)21(23)24-13-16-12-20(27-22-16)19-11-15-7-5-6-10-18(15)26-19/h2-12,14H,13H2,1H3/t14-/m1/s1
InChIKeyQEJCIMGIXMTEHM-CQSZACIVSA-N
MW363.37 g/mol
LogP4.60
Rot. Bonds6

About [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate (PubChem CID 30608484) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
PubChem CID30608484
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
SMILESC[C@@H](Oc1ccccc1)C(=O)OCc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C21H17NO5/c1-14(25-17-8-3-2-4-9-17)21(23)24-13-16-12-20(27-22-16)19-11-15-7-5-6-10-18(15)26-19/h2-12,14H,13H2,1H3/t14-/m1/s1
InChIKeyQEJCIMGIXMTEHM-CQSZACIVSA-N
XLogP4.60
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
CID 30608554
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 30608478
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-2-phenoxypropanamide
CID 16867418
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 30608149
2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 30850586
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608221
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
CID 51436225
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenoxypropanoate
CID 20946495
2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)acetamide
CID 30850600
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
methyl (2S)-2-[4-(2-oxochromen-3-yl)phenoxy]propanoate
CID 42155073

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate?
The IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate (CID 30608484) is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate is C[C@@H](Oc1ccccc1)C(=O)OCc1cc(-c2cc3ccccc3o2)on1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate?
The InChIKey is QEJCIMGIXMTEHM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17NO5/c1-14(25-17-8-3-2-4-9-17)21(23)24-13-16-12-20(27-22-16)19-11-15-7-5-6-10-18(15)26-19/h2-12,14H,13H2,1H3/t14-/m1/s1.
What are the key properties of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate?
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate has a molecular weight of 363.37 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate is sourced from PubChem (CID 30608484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).