N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide

C19H15BrN2O3 — CID 19439744

IUPACN-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1oncc1C(=O)Nc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H15BrN2O3/c1-2-17-16(11-21-25-17)19(24)22-15-9-5-13(6-10-15)18(23)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H,22,24)
InChIKeyQOUZBIRERWEJLH-UHFFFAOYSA-N
MW399.24 g/mol
LogP4.48
Rot. Bonds5

About N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide

N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 19439744) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide
PubChem CID19439744
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC NameN-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1oncc1C(=O)Nc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H15BrN2O3/c1-2-17-16(11-21-25-17)19(24)22-15-9-5-13(6-10-15)18(23)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H,22,24)
InChIKeyQOUZBIRERWEJLH-UHFFFAOYSA-N
XLogP4.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide 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

N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide
CID 69070515
N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 54110516
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
CID 19439788
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-(2-aminopropyl)-5-ethyl-1,2-oxazole-4-carboxamide
CID 83617699
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide (CID 19439744) is N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide is CCc1oncc1C(=O)Nc1ccc(C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QOUZBIRERWEJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c1-2-17-16(11-21-25-17)19(24)22-15-9-5-13(6-10-15)18(23)12-3-7-14(20)8-4-12/h3-11H,2H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide?
N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 399.24 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromobenzoyl)phenyl]-5-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 19439744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).