ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate

C12H11BrN2O3 — CID 59145411

IUPACethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Br)cc2)noc1N
InChIInChI=1S/C12H11BrN2O3/c1-2-17-12(16)9-10(15-18-11(9)14)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKeyAVFXRZSROKGVPS-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.86
Rot. Bonds3

About ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate

ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate (PubChem CID 59145411) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate
PubChem CID59145411
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Nameethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Br)cc2)noc1N
InChIInChI=1S/C12H11BrN2O3/c1-2-17-12(16)9-10(15-18-11(9)14)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKeyAVFXRZSROKGVPS-UHFFFAOYSA-N
XLogP2.86
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
ethyl 3-(4-bromophenyl)-4-nitro-1,2-oxazole-5-carboxylate
CID 66598806
ethyl 4-[3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-carbamoylpyrrole-2-carboxylate
CID 68862218
ethyl 5-[(2-bromobenzoyl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108765229
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 5-[(3-bromobenzoyl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108765237
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate
CID 15311882
ethyl 4-(4-bromophenyl)-1H-imidazole-5-carboxylate
CID 95498236
ethyl 3-(4-chlorophenyl)-5-(propanoylamino)-1,2-oxazole-4-carboxylate
CID 108742866
ethyl 5-(fluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylate
CID 134588302
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate (CID 59145411) is ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(Br)cc2)noc1N.
What is the InChIKey of ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is AVFXRZSROKGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-2-17-12(16)9-10(15-18-11(9)14)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3.
What are the key properties of ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate?
ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 311.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 59145411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).