ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate

C18H16FNO3 — CID 123781941

IUPACethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)[C@@H](c2ccc(F)cc2)ON1
InChIInChI=1S/C18H16FNO3/c1-2-22-18(21)16-15(12-6-4-3-5-7-12)17(23-20-16)13-8-10-14(19)11-9-13/h3-11,17,20H,2H2,1H3/t17-/m1/s1
InChIKeyAIHRNCIBICASIH-QGZVFWFLSA-N
MW313.33 g/mol
LogP3.38
Rot. Bonds4

About ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate

ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 123781941) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID123781941
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Nameethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)[C@@H](c2ccc(F)cc2)ON1
InChIInChI=1S/C18H16FNO3/c1-2-22-18(21)16-15(12-6-4-3-5-7-12)17(23-20-16)13-8-10-14(19)11-9-13/h3-11,17,20H,2H2,1H3/t17-/m1/s1
InChIKeyAIHRNCIBICASIH-QGZVFWFLSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
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CID 11370315
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
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1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
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ethyl 4-fluorobenzoate;hydrochloride
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CID 91872759
2-[6-ethoxycarbonyl-5-(4-fluorophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
CID 42826904
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408062
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
CID 164666178

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate (CID 123781941) is ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)[C@@H](c2ccc(F)cc2)ON1.
What is the InChIKey of ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is AIHRNCIBICASIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-22-18(21)16-15(12-6-4-3-5-7-12)17(23-20-16)13-8-10-14(19)11-9-13/h3-11,17,20H,2H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 123781941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).