ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate

C18H15NO3 — CID 100802140

IUPACethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15NO3/c1-2-21-18(20)16-17(22-12-19-16)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyYKINRFDNRMLKQQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.19
Rot. Bonds4

About ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 100802140) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID100802140
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15NO3/c1-2-21-18(20)16-17(22-12-19-16)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyYKINRFDNRMLKQQ-UHFFFAOYSA-N
XLogP4.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
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 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 5-(5-iodothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 79690999
N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253
ethyl 5-[methoxy(phenyl)methyl]-1,3-oxazole-4-carboxylate
CID 55037618
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
CID 158770723
CID 158770723

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate (CID 100802140) is ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is YKINRFDNRMLKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-21-18(20)16-17(22-12-19-16)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 100802140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).