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

C22H23BrN2O4 — CID 46450144

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Br
InChIInChI=1S/C22H23BrN2O4/c1-13(16-8-9-21(27-4)20(23)11-16)24-22(26)17-6-5-7-18(10-17)28-12-19-14(2)25-29-15(19)3/h5-11,13H,12H2,1-4H3,(H,24,26)
InChIKeyMAUJNPGOYVPMGK-UHFFFAOYSA-N
MW459.34 g/mol
LogP5.13
Rot. Bonds7

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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 46450144) has the molecular formula C22H23BrN2O4 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID46450144
Molecular FormulaC22H23BrN2O4
Molecular Weight459.34 g/mol
Exact Mass458.08
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Br
InChIInChI=1S/C22H23BrN2O4/c1-13(16-8-9-21(27-4)20(23)11-16)24-22(26)17-6-5-7-18(10-17)28-12-19-14(2)25-29-15(19)3/h5-11,13H,12H2,1-4H3,(H,24,26)
InChIKeyMAUJNPGOYVPMGK-UHFFFAOYSA-N
XLogP5.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 8937144
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
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26383518

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 46450144) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is COc1ccc(C(C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is MAUJNPGOYVPMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4/c1-13(16-8-9-21(27-4)20(23)11-16)24-22(26)17-6-5-7-18(10-17)28-12-19-14(2)25-29-15(19)3/h5-11,13H,12H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 459.34 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46450144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).