3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide

C15H17BrN2O2 — CID 79465552

IUPAC3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2c(C)noc2C)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-8-5-6-12(7-13(8)16)15(19)17-9(2)14-10(3)18-20-11(14)4/h5-7,9H,1-4H3,(H,17,19)
InChIKeyPOSQYLCZIIEDJW-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide

3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide (PubChem CID 79465552) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
PubChem CID79465552
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2c(C)noc2C)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-8-5-6-12(7-13(8)16)15(19)17-9(2)14-10(3)18-20-11(14)4/h5-7,9H,1-4H3,(H,17,19)
InChIKeyPOSQYLCZIIEDJW-UHFFFAOYSA-N
XLogP3.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide 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

3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
CID 78961269
3-bromo-N-[1-(2,6-difluorophenyl)ethyl]-4-methylbenzamide
CID 81457778
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
CID 79231664
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 78961509
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 79225808

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide (CID 79465552) is 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2c(C)noc2C)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide?
The InChIKey is POSQYLCZIIEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-8-5-6-12(7-13(8)16)15(19)17-9(2)14-10(3)18-20-11(14)4/h5-7,9H,1-4H3,(H,17,19).
What are the key properties of 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide?
3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide has a molecular weight of 337.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 79465552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).