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

C24H27N3O4 — CID 30750475

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C24H27N3O4/c1-15(2)23(28)26-20-9-5-7-18(11-20)13-25-24(29)19-8-6-10-21(12-19)30-14-22-16(3)27-31-17(22)4/h5-12,15H,13-14H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyACJXGXSVGDSVFG-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.39
Rot. Bonds8

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 30750475) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
PubChem CID30750475
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C24H27N3O4/c1-15(2)23(28)26-20-9-5-7-18(11-20)13-25-24(29)19-8-6-10-21(12-19)30-14-22-16(3)27-31-17(22)4/h5-12,15H,13-14H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyACJXGXSVGDSVFG-UHFFFAOYSA-N
XLogP4.39
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 30832407
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 55509371
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 48584384
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide (CID 30750475) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is ACJXGXSVGDSVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(2)23(28)26-20-9-5-7-18(11-20)13-25-24(29)19-8-6-10-21(12-19)30-14-22-16(3)27-31-17(22)4/h5-12,15H,13-14H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 421.50 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 30750475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).