ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate

C15H13N3O3 — CID 6425330

IUPACethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2nccn2-c2ccccc2)no1
InChIInChI=1S/C15H13N3O3/c1-2-20-15(19)13-10-12(17-21-13)14-16-8-9-18(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyOFQRQZWBPFGTFC-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.70
Rot. Bonds4

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

ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate (PubChem CID 6425330) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate
PubChem CID6425330
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2nccn2-c2ccccc2)no1
InChIInChI=1S/C15H13N3O3/c1-2-20-15(19)13-10-12(17-21-13)14-16-8-9-18(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyOFQRQZWBPFGTFC-UHFFFAOYSA-N
XLogP2.70
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate (CID 6425330) is ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2nccn2-c2ccccc2)no1.
What is the InChIKey of ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate?
The InChIKey is OFQRQZWBPFGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-20-15(19)13-10-12(17-21-13)14-16-8-9-18(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate?
ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-phenylimidazol-2-yl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 6425330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).