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

C20H27N3O4 — CID 55715703

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC(C)CN2CCOCC2)c1
InChIInChI=1S/C20H27N3O4/c1-14(12-23-7-9-25-10-8-23)21-20(24)17-5-4-6-18(11-17)26-13-19-15(2)22-27-16(19)3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,21,24)
InChIKeyIYBPQPYSGWYVQF-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.32
Rot. Bonds7

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 55715703) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID55715703
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC(C)CN2CCOCC2)c1
InChIInChI=1S/C20H27N3O4/c1-14(12-23-7-9-25-10-8-23)21-20(24)17-5-4-6-18(11-17)26-13-19-15(2)22-27-16(19)3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,21,24)
InChIKeyIYBPQPYSGWYVQF-UHFFFAOYSA-N
XLogP2.32
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31420076
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-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 47078883
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 8937144
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 55715703) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)NC(C)CN2CCOCC2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is IYBPQPYSGWYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(12-23-7-9-25-10-8-23)21-20(24)17-5-4-6-18(11-17)26-13-19-15(2)22-27-16(19)3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 373.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 55715703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).