3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride

C17H24ClN3O3 — CID 120828194

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(OCc2c(C)noc2C)c1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-11(18-4)9-19-17(21)14-6-5-7-15(8-14)22-10-16-12(2)20-23-13(16)3;/h5-8,11,18H,9-10H2,1-4H3,(H,19,21);1H
InChIKeyNNHXBYQWWKLLJQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.63
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120828194) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120828194
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(OCc2c(C)noc2C)c1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-11(18-4)9-19-17(21)14-6-5-7-15(8-14)22-10-16-12(2)20-23-13(16)3;/h5-8,11,18H,9-10H2,1-4H3,(H,19,21);1H
InChIKeyNNHXBYQWWKLLJQ-UHFFFAOYSA-N
XLogP2.63
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.63
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-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46557184
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30750475
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7780341
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
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-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 30873457

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120828194) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1cccc(OCc2c(C)noc2C)c1.Cl.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is NNHXBYQWWKLLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-11(18-4)9-19-17(21)14-6-5-7-15(8-14)22-10-16-12(2)20-23-13(16)3;/h5-8,11,18H,9-10H2,1-4H3,(H,19,21);1H.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.63, 7 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-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120828194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).