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

C14H17NO3 — CID 11665966

IUPACethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(CC)cc2)=NO1
InChIInChI=1S/C14H17NO3/c1-3-10-5-7-11(8-6-10)12-9-13(18-15-12)14(16)17-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyMIEGXKBSFPHNFV-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 11665966) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID11665966
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(CC)cc2)=NO1
InChIInChI=1S/C14H17NO3/c1-3-10-5-7-11(8-6-10)12-9-13(18-15-12)14(16)17-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyMIEGXKBSFPHNFV-UHFFFAOYSA-N
XLogP2.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 11665966) is ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is CCOC(=O)C1CC(c2ccc(CC)cc2)=NO1.
What is the InChIKey of ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is MIEGXKBSFPHNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-10-5-7-11(8-6-10)12-9-13(18-15-12)14(16)17-4-2/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 11665966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).