2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide

C11H15N3O2 — CID 114291610

IUPAC2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1onc(C)c1C
InChIInChI=1S/C11H15N3O2/c1-5-11(4,6-12)10(15)13-9-7(2)8(3)14-16-9/h5H2,1-4H3,(H,13,15)
InChIKeyWLJJEEMVDXVEMB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.17
Rot. Bonds3

About 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide

2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide (PubChem CID 114291610) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
PubChem CID114291610
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1onc(C)c1C
InChIInChI=1S/C11H15N3O2/c1-5-11(4,6-12)10(15)13-9-7(2)8(3)14-16-9/h5H2,1-4H3,(H,13,15)
InChIKeyWLJJEEMVDXVEMB-UHFFFAOYSA-N
XLogP2.17
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2,2-dimethylpropanamide
CID 115426793
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291024
2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 114291364
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-(4-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpropanamide
CID 80556120
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
CID 114290912
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
2-cyano-N-(2,6-difluoro-3-methylphenyl)-2-methylbutanamide
CID 82818028
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide
CID 65480576

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide (CID 114291610) is 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1onc(C)c1C.
What is the InChIKey of 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
The InChIKey is WLJJEEMVDXVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-5-11(4,6-12)10(15)13-9-7(2)8(3)14-16-9/h5H2,1-4H3,(H,13,15).
What are the key properties of 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide has a molecular weight of 221.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide is sourced from PubChem (CID 114291610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).