2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide

C10H13N3O2 — CID 62903126

IUPAC2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cnoc1
InChIInChI=1S/C10H13N3O2/c1-3-10(4-2,7-11)9(14)13-8-5-12-15-6-8/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyONROQWVOUFYZNN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.94
Rot. Bonds4

About 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide

2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide (PubChem CID 62903126) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
PubChem CID62903126
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cnoc1
InChIInChI=1S/C10H13N3O2/c1-3-10(4-2,7-11)9(14)13-8-5-12-15-6-8/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyONROQWVOUFYZNN-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 79815107
2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
CID 66353300
2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
CID 55057277
N-(1,2-oxazol-4-yl)butanamide
CID 62416628
3-amino-2,2-difluoro-N-(1,2-oxazol-4-yl)propanamide
CID 130600857
2-cyano-N-(1,2-oxazol-4-yl)propanamide
CID 62903125
2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 55207137
2-(ethylamino)-N-(1,2-oxazol-4-yl)acetamide
CID 62902215
2-cyano-2-ethyl-N-(3-iodo-4-methylphenyl)butanamide
CID 114257386
2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
CID 55219236
2-methoxy-N-(1,2-oxazol-4-yl)acetamide
CID 62415061
2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043546

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide (CID 62903126) is 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide is CCC(C#N)(CC)C(=O)Nc1cnoc1.
What is the InChIKey of 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide?
The InChIKey is ONROQWVOUFYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-10(4-2,7-11)9(14)13-8-5-12-15-6-8/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide?
2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide has a molecular weight of 207.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 62903126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).