ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate

C30H24N2O6 — CID 54770782

IUPACethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(-c3nc(C(=O)OCC)c(-c4ccccc4)o3)cc2)oc1-c1ccccc1
InChIInChI=1S/C30H24N2O6/c1-3-35-29(33)23-25(19-11-7-5-8-12-19)37-27(31-23)21-15-17-22(18-16-21)28-32-24(30(34)36-4-2)26(38-28)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3
InChIKeyQCIWBKVJPBVRSP-UHFFFAOYSA-N
MW508.53 g/mol
LogP6.68
Rot. Bonds8

About ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate

ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 54770782) has the molecular formula C30H24N2O6 and a molecular weight of 508.53 g/mol. Its IUPAC name is ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID54770782
Molecular FormulaC30H24N2O6
Molecular Weight508.53 g/mol
Exact Mass508.16
IUPAC Nameethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(-c3nc(C(=O)OCC)c(-c4ccccc4)o3)cc2)oc1-c1ccccc1
InChIInChI=1S/C30H24N2O6/c1-3-35-29(33)23-25(19-11-7-5-8-12-19)37-27(31-23)21-15-17-22(18-16-21)28-32-24(30(34)36-4-2)26(38-28)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3
InChIKeyQCIWBKVJPBVRSP-UHFFFAOYSA-N
XLogP6.68
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.53
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 2-(4-tert-butylphenyl)-5-(3-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 70164860
ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 166154766
ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
CID 102412779
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate (CID 54770782) is ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(-c3nc(C(=O)OCC)c(-c4ccccc4)o3)cc2)oc1-c1ccccc1.
What is the InChIKey of ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is QCIWBKVJPBVRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O6/c1-3-35-29(33)23-25(19-11-7-5-8-12-19)37-27(31-23)21-15-17-22(18-16-21)28-32-24(30(34)36-4-2)26(38-28)20-13-9-6-10-14-20/h5-18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 508.53 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 54770782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).