(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate

C20H19NO5 — CID 30036377

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCc2cc(-c3ccccc3)no2)cc(OC)c1C
InChIInChI=1S/C20H19NO5/c1-13-18(23-2)9-15(10-19(13)24-3)20(22)25-12-16-11-17(21-26-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyWZZCKMJJSWOXMA-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.02
Rot. Bonds6

About (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate

(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate (PubChem CID 30036377) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
PubChem CID30036377
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCc2cc(-c3ccccc3)no2)cc(OC)c1C
InChIInChI=1S/C20H19NO5/c1-13-18(23-2)9-15(10-19(13)24-3)20(22)25-12-16-11-17(21-26-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyWZZCKMJJSWOXMA-UHFFFAOYSA-N
XLogP4.02
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
(3-phenyl-1,2-oxazol-5-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 37135590
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 130348153
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(3-bromo-1,2-oxazol-5-yl)methyl benzoate
CID 52951006
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 138465283
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate (CID 30036377) is (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate is COc1cc(C(=O)OCc2cc(-c3ccccc3)no2)cc(OC)c1C.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The InChIKey is WZZCKMJJSWOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-18(23-2)9-15(10-19(13)24-3)20(22)25-12-16-11-17(21-26-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate has a molecular weight of 353.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate is sourced from PubChem (CID 30036377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).