N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H15N3O3 — CID 63237259

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc(C)no1
InChIInChI=1S/C11H15N3O3/c1-9-8-10(17-13-9)11(15)14(5-3-4-12)6-7-16-2/h8H,3,5-7H2,1-2H3
InChIKeyXYYHMATYMJJTCP-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.99
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 63237259) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID63237259
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc(C)no1
InChIInChI=1S/C11H15N3O3/c1-9-8-10(17-13-9)11(15)14(5-3-4-12)6-7-16-2/h8H,3,5-7H2,1-2H3
InChIKeyXYYHMATYMJJTCP-UHFFFAOYSA-N
XLogP0.99
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964
Ethyl 4-[(3-methylisoxazol-5-yl)carbonyl]piperazinecarboxylate
CID 5307813
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511
N-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194127
Butanoic acid, 4-(((3-methyl-5-isoxazolyl)carbonyl)amino)-
CID 189689
5-[(Dimethylamino)methyl]-1,2-oxazole-3-carbaldehyde
CID 20099055
3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 95772134

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 63237259) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide is COCCN(CCC#N)C(=O)c1cc(C)no1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is XYYHMATYMJJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-9-8-10(17-13-9)11(15)14(5-3-4-12)6-7-16-2/h8H,3,5-7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 63237259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).