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

C19H17NO4 — CID 25270953

IUPACethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccc(-c3ccc(C=O)cc3)cc2)C1
InChIInChI=1S/C19H17NO4/c1-2-23-19(22)17-11-18(24-20-17)16-9-7-15(8-10-16)14-5-3-13(12-21)4-6-14/h3-10,12,18H,2,11H2,1H3
InChIKeyAKVSLEKXDOQBCW-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.55
Rot. Bonds5

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

ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 25270953) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID25270953
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccc(-c3ccc(C=O)cc3)cc2)C1
InChIInChI=1S/C19H17NO4/c1-2-23-19(22)17-11-18(24-20-17)16-9-7-15(8-10-16)14-5-3-13(12-21)4-6-14/h3-10,12,18H,2,11H2,1H3
InChIKeyAKVSLEKXDOQBCW-UHFFFAOYSA-N
XLogP3.55
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isoxadifen-ethyl
CID 6451155
(Propan-2-ylideneamino) 4-phenylbenzoate
CID 702521
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-propan-2-yloxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10551568
Ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270952
Xeppcvkkxlbyar-uhfffaoysa-
CID 13334008
[(E)-[(3Z,5E)-3-ethoxycarbonyl-5-methyl-6-phenylhexa-3,5-dien-2-ylidene]amino] 4-(trifluoromethyl)benzoate
CID 135075265
[(E)-[(3Z,5E)-5-methyl-6-phenyl-3-prop-2-enoxycarbonylhexa-3,5-dien-2-ylidene]amino] 4-(trifluoromethyl)benzoate
CID 138967504
[(E)-[(E)-3-ethoxycarbonyl-4-(4-phenylphenyl)but-3-en-2-ylidene]amino] 4-(trifluoromethyl)benzoate
CID 138968001
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4R,5R)-4,5-bis[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 168340695
Succinimidyl-4-formyl benzoate
CID 21700592
2-Benzylidenecyclopentanone O-(4-methylbenzoyl)oxime
CID 9569964
ethyl 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 21873015

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 25270953) is ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(c2ccc(-c3ccc(C=O)cc3)cc2)C1.
What is the InChIKey of ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is AKVSLEKXDOQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-23-19(22)17-11-18(24-20-17)16-9-7-15(8-10-16)14-5-3-13(12-21)4-6-14/h3-10,12,18H,2,11H2,1H3.
What are the key properties of ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(4-formylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 25270953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).