ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate

C14H15NO4 — CID 170887366

IUPACethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(CCO)cc1
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)12-13(19-9-15-12)11-5-3-10(4-6-11)7-8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyCQNKCNDAYCCPSL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds5

About ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 170887366) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID170887366
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(CCO)cc1
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)12-13(19-9-15-12)11-5-3-10(4-6-11)7-8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyCQNKCNDAYCCPSL-UHFFFAOYSA-N
XLogP2.05
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-(1-methylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 10846618
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 79690999
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
2-(1-methylpyrazol-4-yl)ethyl 5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 71869397
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate (CID 170887366) is ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccc(CCO)cc1.
What is the InChIKey of ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CQNKCNDAYCCPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-18-14(17)12-13(19-9-15-12)11-5-3-10(4-6-11)7-8-16/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170887366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).