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

C22H23N3O4 — CID 46455012

IUPACN-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1
InChIInChI=1S/C22H23N3O4/c1-13-8-9-18(23-16(4)26)11-21(13)24-22(27)17-6-5-7-19(10-17)28-12-20-14(2)25-29-15(20)3/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyVWWKYYGDFRBGKJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.39
Rot. Bonds6

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

N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 46455012) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID46455012
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1
InChIInChI=1S/C22H23N3O4/c1-13-8-9-18(23-16(4)26)11-21(13)24-22(27)17-6-5-7-19(10-17)28-12-20-14(2)25-29-15(20)3/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyVWWKYYGDFRBGKJ-UHFFFAOYSA-N
XLogP4.39
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731689
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-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
CID 29409481
methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 38236289
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4553173
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46523131
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 46455012) is N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is VWWKYYGDFRBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-8-9-18(23-16(4)26)11-21(13)24-22(27)17-6-5-7-19(10-17)28-12-20-14(2)25-29-15(20)3/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 393.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46455012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).