ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate

C16H14N2O3 — CID 159374532

IUPACethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2coc(-c3ccccc3)n2)c[nH]1
InChIInChI=1S/C16H14N2O3/c1-2-20-16(19)13-8-12(9-17-13)14-10-21-15(18-14)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3
InChIKeyHZEUBJFMWBVHMF-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.51
Rot. Bonds4

About ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate

ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate (PubChem CID 159374532) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate
PubChem CID159374532
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Nameethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2coc(-c3ccccc3)n2)c[nH]1
InChIInChI=1S/C16H14N2O3/c1-2-20-16(19)13-8-12(9-17-13)14-10-21-15(18-14)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3
InChIKeyHZEUBJFMWBVHMF-UHFFFAOYSA-N
XLogP3.51
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzamide;ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate;tungsten
CID 159374531
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
ethyl 4-[3-amino-4-(3-aminophenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxylate
CID 135418225
ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 164735405
ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate
CID 177236760
ethyl 4-[5-(3-nitrophenyl)-2H-triazol-4-yl]-1H-pyrrole-2-carboxylate
CID 135482195
[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate
CID 58307058
ethyl 4-(4-hydroxyphenyl)-1H-pyrrole-2-carboxylate;ethyl 4-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 159312898
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate (CID 159374532) is ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(-c2coc(-c3ccccc3)n2)c[nH]1.
What is the InChIKey of ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is HZEUBJFMWBVHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-20-16(19)13-8-12(9-17-13)14-10-21-15(18-14)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate?
ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 159374532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).