N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide

C12H20N2O2 — CID 47861683

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCc1noc(C)c1CNC(=O)CC(C)(C)C
InChIInChI=1S/C12H20N2O2/c1-8-10(9(2)16-14-8)7-13-11(15)6-12(3,4)5/h6-7H2,1-5H3,(H,13,15)
InChIKeyJYXCVDXTYWECIH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.34
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 47861683) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
PubChem CID47861683
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCc1noc(C)c1CNC(=O)CC(C)(C)C
InChIInChI=1S/C12H20N2O2/c1-8-10(9(2)16-14-8)7-13-11(15)6-12(3,4)5/h6-7H2,1-5H3,(H,13,15)
InChIKeyJYXCVDXTYWECIH-UHFFFAOYSA-N
XLogP2.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233221
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943757
3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 2225560
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
1-(3,5-Dimethylisoxazol-4-Yl)Methanamine Hydrochloride
CID 45782704

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide (CID 47861683) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide is Cc1noc(C)c1CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is JYXCVDXTYWECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-10(9(2)16-14-8)7-13-11(15)6-12(3,4)5/h6-7H2,1-5H3,(H,13,15).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 47861683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).