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

C19H16Br2N2O3 — CID 29216339

IUPACN-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccc(Br)cc2Br)c1
InChIInChI=1S/C19H16Br2N2O3/c1-11-16(12(2)26-23-11)10-25-15-5-3-4-13(8-15)19(24)22-18-7-6-14(20)9-17(18)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyBNXCMOGLFRNMGD-UHFFFAOYSA-N
MW480.16 g/mol
LogP5.65
Rot. Bonds5

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

N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 29216339) has the molecular formula C19H16Br2N2O3 and a molecular weight of 480.16 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID29216339
Molecular FormulaC19H16Br2N2O3
Molecular Weight480.16 g/mol
Exact Mass477.95
IUPAC NameN-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccc(Br)cc2Br)c1
InChIInChI=1S/C19H16Br2N2O3/c1-11-16(12(2)26-23-11)10-25-15-5-3-4-13(8-15)19(24)22-18-7-6-14(20)9-17(18)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyBNXCMOGLFRNMGD-UHFFFAOYSA-N
XLogP5.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.16
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
CID 55714868
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46523131
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
CID 29409481
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 43067087
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731689
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 29216339) is N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(Br)cc2Br)c1.
What is the InChIKey of N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is BNXCMOGLFRNMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O3/c1-11-16(12(2)26-23-11)10-25-15-5-3-4-13(8-15)19(24)22-18-7-6-14(20)9-17(18)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 480.16 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 29216339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).