ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate

C19H18N2O4 — CID 9051991

IUPACethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(/C=C2\N=C(c3ccccc3)OC2=O)c1C
InChIInChI=1S/C19H18N2O4/c1-4-24-19(23)16-11(2)14(20-12(16)3)10-15-18(22)25-17(21-15)13-8-6-5-7-9-13/h5-10,20H,4H2,1-3H3/b15-10-
InChIKeyRIVDJRISOULZOI-GDNBJRDFSA-N
MW338.36 g/mol
LogP3.15
Rot. Bonds4

About ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate (PubChem CID 9051991) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate
PubChem CID9051991
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(/C=C2\N=C(c3ccccc3)OC2=O)c1C
InChIInChI=1S/C19H18N2O4/c1-4-24-19(23)16-11(2)14(20-12(16)3)10-15-18(22)25-17(21-15)13-8-6-5-7-9-13/h5-10,20H,4H2,1-3H3/b15-10-
InChIKeyRIVDJRISOULZOI-GDNBJRDFSA-N
XLogP3.15
TPSA80.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[(Z)-[2-[2-(difluoromethoxy)phenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9052355
ethyl [(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl] carbonate
CID 10515540
ethyl 2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 7033212
ethyl 2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 5654
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135540842
ethyl 5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate;5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid
CID 161241364
[2,6-dimethyl-4-[(Z)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl] propanoate
CID 19665352
[4-[(Z)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl] propanoate
CID 19665311
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
ethyl 2-[2-chloro-6-methoxy-4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetate
CID 71832592
ethyl 5-[(benzylamino)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53214097

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate (CID 9051991) is ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(/C=C2\N=C(c3ccccc3)OC2=O)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate?
The InChIKey is RIVDJRISOULZOI-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-24-19(23)16-11(2)14(20-12(16)3)10-15-18(22)25-17(21-15)13-8-6-5-7-9-13/h5-10,20H,4H2,1-3H3/b15-10-.
What are the key properties of ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 9051991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).