ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate

C19H19N3O3 — CID 58533133

IUPACethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(N)cc2)c(-c2ccc(N)cc2)o1
InChIInChI=1S/C19H19N3O3/c1-2-24-17(23)11-16-22-18(12-3-7-14(20)8-4-12)19(25-16)13-5-9-15(21)10-6-13/h3-10H,2,11,20-21H2,1H3
InChIKeyHQJRJNQTFFQZOV-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate

ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate (PubChem CID 58533133) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
PubChem CID58533133
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(N)cc2)c(-c2ccc(N)cc2)o1
InChIInChI=1S/C19H19N3O3/c1-2-24-17(23)11-16-22-18(12-3-7-14(20)8-4-12)19(25-16)13-5-9-15(21)10-6-13/h3-10H,2,11,20-21H2,1H3
InChIKeyHQJRJNQTFFQZOV-UHFFFAOYSA-N
XLogP3.28
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
ethyl 3-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoate
CID 19698612
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
CID 10002638
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate
CID 91284514
ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
CID 102588150
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11947914
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate (CID 58533133) is ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(N)cc2)c(-c2ccc(N)cc2)o1.
What is the InChIKey of ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate?
The InChIKey is HQJRJNQTFFQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-24-17(23)11-16-22-18(12-3-7-14(20)8-4-12)19(25-16)13-5-9-15(21)10-6-13/h3-10H,2,11,20-21H2,1H3.
What are the key properties of ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate?
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate has a molecular weight of 337.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate is sourced from PubChem (CID 58533133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).