2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide

C11H15N3O2 — CID 55207137

IUPAC2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cc(C)no1
InChIInChI=1S/C11H15N3O2/c1-4-11(5-2,7-12)10(15)13-9-6-8(3)14-16-9/h6H,4-5H2,1-3H3,(H,13,15)
InChIKeyRXHPBKDCFRZTMV-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.25
Rot. Bonds4

About 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide

2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide (PubChem CID 55207137) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
PubChem CID55207137
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1cc(C)no1
InChIInChI=1S/C11H15N3O2/c1-4-11(5-2,7-12)10(15)13-9-6-8(3)14-16-9/h6H,4-5H2,1-3H3,(H,13,15)
InChIKeyRXHPBKDCFRZTMV-UHFFFAOYSA-N
XLogP2.25
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 43616283
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
2-cyano-2-ethyl-N-(3-iodo-4-methylphenyl)butanamide
CID 114257386
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 55128778
2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106417457
2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
CID 55219236
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
4-(ethylamino)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62184915
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide (CID 55207137) is 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide is CCC(C#N)(CC)C(=O)Nc1cc(C)no1.
What is the InChIKey of 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
The InChIKey is RXHPBKDCFRZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-11(5-2,7-12)10(15)13-9-6-8(3)14-16-9/h6H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide?
2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide has a molecular weight of 221.26 g/mol, XLogP of 2.25, 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-(3-methyl-1,2-oxazol-5-yl)butanamide is sourced from PubChem (CID 55207137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).