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

C19H17BrN2O3 — CID 36900169

IUPACN-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H17BrN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyXYOHCICXLXJJFX-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.89
Rot. Bonds5

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

N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 36900169) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID36900169
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC NameN-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H17BrN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyXYOHCICXLXJJFX-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699
N-[3-(butylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 35744205
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
S-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56532884
N-[1-(4-bromophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006031
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 42989993

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 36900169) is N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is XYOHCICXLXJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 401.26 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 36900169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).