ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C33H33NO3 — CID 66578393

IUPACethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4/C=C\CC(C)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C33H33NO3/c1-4-36-32(35)33(21-22-33)29-19-17-27(18-20-29)26-13-15-28(16-14-26)31-30(24(3)34-37-31)12-8-9-23(2)25-10-6-5-7-11-25/h5-8,10-20,23H,4,9,21-22H2,1-3H3/b12-8-
InChIKeyRXFRYRALZZZNET-WQLSENKSSA-N
MW491.63 g/mol
LogP8.12
Rot. Bonds9

About ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 66578393) has the molecular formula C33H33NO3 and a molecular weight of 491.63 g/mol. Its IUPAC name is ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
PubChem CID66578393
Molecular FormulaC33H33NO3
Molecular Weight491.63 g/mol
Exact Mass491.25
IUPAC Nameethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4/C=C\CC(C)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C33H33NO3/c1-4-36-32(35)33(21-22-33)29-19-17-27(18-20-29)26-13-15-28(16-14-26)31-30(24(3)34-37-31)12-8-9-23(2)25-10-6-5-7-11-25/h5-8,10-20,23H,4,9,21-22H2,1-3H3/b12-8-
InChIKeyRXFRYRALZZZNET-WQLSENKSSA-N
XLogP8.12
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

3-methyl-4-[(E)-4-phenylpent-1-enyl]-5-(4-phenylphenyl)-1,2-oxazole
CID 141296022
ethyl 1-[4-[4-[4-[(E)-2-benzylsulfonylethenyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 89181765
ethyl 1-[4-[4-[3-methyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577468
ethyl 1-[4-[4-[4-[1-hydroxy-2-[(1R)-1-phenylethoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 67093187
ethyl 1-[4-[4-[4-[(2S)-2-hydroxy-2-[(1R)-1-phenylethoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578335
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-(2-methyl-3-phenylsulfanylpropyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 158210025
ethyl 1-[4-[4-[4-[(E)-1-hydroxy-2,2-dimethyl-4-phenylbut-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577392
ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579431
ethyl 1-[4-[4-[4-[(3-benzylphenyl)-hydroxymethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66577743
ethyl 1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclobutane-1-carboxylate
CID 66660334
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 66578393) is ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4/C=C\CC(C)c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is RXFRYRALZZZNET-WQLSENKSSA-N. The full InChI is InChI=1S/C33H33NO3/c1-4-36-32(35)33(21-22-33)29-19-17-27(18-20-29)26-13-15-28(16-14-26)31-30(24(3)34-37-31)12-8-9-23(2)25-10-6-5-7-11-25/h5-8,10-20,23H,4,9,21-22H2,1-3H3/b12-8-.
What are the key properties of ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 491.63 g/mol, XLogP of 8.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[4-[3-methyl-4-[(Z)-4-phenylpent-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66578393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).