N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C19H27N3O3 — CID 8695068

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C19H27N3O3/c1-6-24-15-9-7-14(8-10-15)12-22(5)13-17(23)20-18-11-16(21-25-18)19(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,20,23)
InChIKeyXYPFLMFAJSKGJA-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.44
Rot. Bonds7

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8695068) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID8695068
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C19H27N3O3/c1-6-24-15-9-7-14(8-10-15)12-22(5)13-17(23)20-18-11-16(21-25-18)19(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,20,23)
InChIKeyXYPFLMFAJSKGJA-UHFFFAOYSA-N
XLogP3.44
TPSA67.60 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794463
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
CID 59420462
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79645523
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 8695068) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is XYPFLMFAJSKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-6-24-15-9-7-14(8-10-15)12-22(5)13-17(23)20-18-11-16(21-25-18)19(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8695068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).