2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide

C17H30N2O2 — CID 78847325

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
SMILESCc1noc(C)c1CC(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H30N2O2/c1-12(2)7-9-19(10-8-13(3)4)17(20)11-16-14(5)18-21-15(16)6/h12-13H,7-11H2,1-6H3
InChIKeyZBNMLEVYNMCWRI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.75
Rot. Bonds8

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide (PubChem CID 78847325) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
PubChem CID78847325
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
SMILESCc1noc(C)c1CC(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H30N2O2/c1-12(2)7-9-19(10-8-13(3)4)17(20)11-16-14(5)18-21-15(16)6/h12-13H,7-11H2,1-6H3
InChIKeyZBNMLEVYNMCWRI-UHFFFAOYSA-N
XLogP3.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
CID 78847324
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
CID 61008485
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 84603513
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243431
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide
CID 135106203
(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 52551442
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide (CID 78847325) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide is Cc1noc(C)c1CC(=O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide?
The InChIKey is ZBNMLEVYNMCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)7-9-19(10-8-13(3)4)17(20)11-16-14(5)18-21-15(16)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide has a molecular weight of 294.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide is sourced from PubChem (CID 78847325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).