ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate

C30H27NO5 — CID 71266194

IUPACethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1
InChIInChI=1S/C30H27NO5/c1-3-34-28(32)25-26(22-8-6-5-7-9-22)31-36-27(25)23-12-10-20(11-13-23)21-14-16-24(17-15-21)30(18-19-30)29(33)35-4-2/h5-17H,3-4,18-19H2,1-2H3
InChIKeyYJMHARJSSJWXEY-UHFFFAOYSA-N
MW481.55 g/mol
LogP6.45
Rot. Bonds8

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

ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 71266194) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID71266194
Molecular FormulaC30H27NO5
Molecular Weight481.55 g/mol
Exact Mass481.19
IUPAC Nameethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1
InChIInChI=1S/C30H27NO5/c1-3-34-28(32)25-26(22-8-6-5-7-9-22)31-36-27(25)23-12-10-20(11-13-23)21-14-16-24(17-15-21)30(18-19-30)29(33)35-4-2/h5-17H,3-4,18-19H2,1-2H3
InChIKeyYJMHARJSSJWXEY-UHFFFAOYSA-N
XLogP6.45
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 71266196
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 1-[4-[4-[3-methyl-4-[(5-phenyltriazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579408
ethyl 1-[4-[4-[4-[(Z)-2,2-difluoro-4-hydroxy-4-phenylbut-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577260
ethyl 1-[4-[4-[4-(1-amino-2-oxo-3-phenylpropyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578101
ethyl 1-[4-[4-[4-[(Z)-4-hydroxy-2-methyl-4-phenylbut-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577272
ethyl 1-[4-[4-(3-methyl-4-pentyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579962
ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094776
ethyl 1-[4-[4-[3-methyl-4-(3-phenylpropanoylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578355
ethyl 1-[4-[4-[3-methyl-4-[(4-phenylpyrimidin-2-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 159453569
ethyl 1-[4-[4-[4-(4-hydroxybutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578237
ethyl 1-[4-[4-[4-(methoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 67523518

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate (CID 71266194) is ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)noc1-c1ccc(-c2ccc(C3(C(=O)OCC)CC3)cc2)cc1.
What is the InChIKey of ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is YJMHARJSSJWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c1-3-34-28(32)25-26(22-8-6-5-7-9-22)31-36-27(25)23-12-10-20(11-13-23)21-14-16-24(17-15-21)30(18-19-30)29(33)35-4-2/h5-17H,3-4,18-19H2,1-2H3.
What are the key properties of ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate?
ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[4-(1-ethoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 71266194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).