ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H17NO5 — CID 66205916

IUPACethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1c1cccc(OC)c1OC
InChIInChI=1S/C14H17NO5/c1-4-19-14(16)11-13(20-8-15-11)9-6-5-7-10(17-2)12(9)18-3/h5-8,11,13H,4H2,1-3H3
InChIKeyKXVRKYJIPHANIG-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.74
Rot. Bonds5

About ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 66205916) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID66205916
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1c1cccc(OC)c1OC
InChIInChI=1S/C14H17NO5/c1-4-19-14(16)11-13(20-8-15-11)9-6-5-7-10(17-2)12(9)18-3/h5-8,11,13H,4H2,1-3H3
InChIKeyKXVRKYJIPHANIG-UHFFFAOYSA-N
XLogP1.74
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204897
ethyl 5-(4-chloro-2-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 114867041
ethyl 5-(5-ethylfuran-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66204903
ethyl (4S,5R)-5-(5-bromo-3-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 124603781
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245
ethyl 4-(2,3-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3101092
3-(2,3-dimethoxyphenyl)oxirane-2-carboxylic acid
CID 4076414
ethyl 6-(2,3-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 2920809
dimethyl 4-(2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4232319
ethyl 5-tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 15501178
ethyl (4R,7S)-4-(2,3-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909800
methyl (2S)-2-(2,3-dimethoxyphenyl)-4-ethoxy-5,5-dimethyl-2H-furan-3-carboxylate
CID 134953195

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 66205916) is ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=COC1c1cccc(OC)c1OC.
What is the InChIKey of ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is KXVRKYJIPHANIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-4-19-14(16)11-13(20-8-15-11)9-6-5-7-10(17-2)12(9)18-3/h5-8,11,13H,4H2,1-3H3.
What are the key properties of ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3-dimethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66205916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).