N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C21H21BrN2O3 — CID 43059207

IUPACN-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC(C)c2cccc(Br)c2)c1
InChIInChI=1S/C21H21BrN2O3/c1-13(16-6-4-8-18(22)10-16)23-21(25)17-7-5-9-19(11-17)26-12-20-14(2)24-27-15(20)3/h4-11,13H,12H2,1-3H3,(H,23,25)
InChIKeyPSZOQXIXDNNWAT-UHFFFAOYSA-N
MW429.31 g/mol
LogP5.12
Rot. Bonds6

About N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 43059207) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID43059207
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC(C)c2cccc(Br)c2)c1
InChIInChI=1S/C21H21BrN2O3/c1-13(16-6-4-8-18(22)10-16)23-21(25)17-7-5-9-19(11-17)26-12-20-14(2)24-27-15(20)3/h4-11,13H,12H2,1-3H3,(H,23,25)
InChIKeyPSZOQXIXDNNWAT-UHFFFAOYSA-N
XLogP5.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.31
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide 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-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46450144
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 8937144
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 43059207) is N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NC(C)c2cccc(Br)c2)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is PSZOQXIXDNNWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c1-13(16-6-4-8-18(22)10-16)23-21(25)17-7-5-9-19(11-17)26-12-20-14(2)24-27-15(20)3/h4-11,13H,12H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 429.31 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 43059207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).