ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate

C14H15NO5 — CID 154791670

IUPACethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(OC)ccc2OC)on1
InChIInChI=1S/C14H15NO5/c1-4-19-14(16)11-8-13(20-15-11)10-7-9(17-2)5-6-12(10)18-3/h5-8H,4H2,1-3H3
InChIKeySSSKTEHKBRUMKG-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.54
Rot. Bonds5

About ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate

ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 154791670) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
PubChem CID154791670
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Nameethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(OC)ccc2OC)on1
InChIInChI=1S/C14H15NO5/c1-4-19-14(16)11-8-13(20-15-11)10-7-9(17-2)5-6-12(10)18-3/h5-8H,4H2,1-3H3
InChIKeySSSKTEHKBRUMKG-UHFFFAOYSA-N
XLogP2.54
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-4-methyl-5-propanoylthiophene-3-carboxylate
CID 17253044
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
N-benzyl-N-[2-(diethylamino)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070724
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 48981792
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate (CID 154791670) is ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cc(OC)ccc2OC)on1.
What is the InChIKey of ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is SSSKTEHKBRUMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-19-14(16)11-8-13(20-15-11)10-7-9(17-2)5-6-12(10)18-3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).