N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

C19H27N3O3 — CID 119652632

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C19H27N3O3/c1-13-16(14(2)25-21-13)10-24-17-9-7-6-8-15(17)18(23)22(5)12-19(3,4)11-20/h6-9H,10-12,20H2,1-5H3
InChIKeyFVLRYASGKDFYMH-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.93
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (PubChem CID 119652632) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
PubChem CID119652632
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C19H27N3O3/c1-13-16(14(2)25-21-13)10-24-17-9-7-6-8-15(17)18(23)22(5)12-19(3,4)11-20/h6-9H,10-12,20H2,1-5H3
InChIKeyFVLRYASGKDFYMH-UHFFFAOYSA-N
XLogP2.93
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770635
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47919461
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 112788083
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866373
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 30471712
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (CID 119652632) is N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The InChIKey is FVLRYASGKDFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-16(14(2)25-21-13)10-24-17-9-7-6-8-15(17)18(23)22(5)12-19(3,4)11-20/h6-9H,10-12,20H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 119652632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).