ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate

C18H16N2O3 — CID 70167506

IUPACethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1-c1ccc(N)cc1
InChIInChI=1S/C18H16N2O3/c1-2-22-18(21)15-16(12-8-10-14(19)11-9-12)23-17(20-15)13-6-4-3-5-7-13/h3-11H,2,19H2,1H3
InChIKeyANAKBYKTBGMMQX-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.77
Rot. Bonds4

About ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate

ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 70167506) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID70167506
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1-c1ccc(N)cc1
InChIInChI=1S/C18H16N2O3/c1-2-22-18(21)15-16(12-8-10-14(19)11-9-12)23-17(20-15)13-6-4-3-5-7-13/h3-11H,2,19H2,1H3
InChIKeyANAKBYKTBGMMQX-UHFFFAOYSA-N
XLogP3.77
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 2-(4-tert-butylphenyl)-5-(3-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 70164860
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 166154766
ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
CID 102412779
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate (CID 70167506) is ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)oc1-c1ccc(N)cc1.
What is the InChIKey of ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is ANAKBYKTBGMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-22-18(21)15-16(12-8-10-14(19)11-9-12)23-17(20-15)13-6-4-3-5-7-13/h3-11H,2,19H2,1H3.
What are the key properties of ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate?
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70167506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).