2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide

C14H18N4O2 — CID 8772536

IUPAC2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
SMILESCCc1ccc(-c2noc(CNCC(=O)NC)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-10-4-6-11(7-5-10)14-17-13(20-18-14)9-16-8-12(19)15-2/h4-7,16H,3,8-9H2,1-2H3,(H,15,19)
InChIKeyRHHNZZJRUZECJW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds6

About 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide

2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide (PubChem CID 8772536) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
PubChem CID8772536
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
SMILESCCc1ccc(-c2noc(CNCC(=O)NC)n2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-10-4-6-11(7-5-10)14-17-13(20-18-14)9-16-8-12(19)15-2/h4-7,16H,3,8-9H2,1-2H3,(H,15,19)
InChIKeyRHHNZZJRUZECJW-UHFFFAOYSA-N
XLogP1.13
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 46190553
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 16622178
N-ethyl-2-[ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 8683243

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide?
The IUPAC name of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide (CID 8772536) is 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide is CCc1ccc(-c2noc(CNCC(=O)NC)n2)cc1.
What is the InChIKey of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide?
The InChIKey is RHHNZZJRUZECJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-4-6-11(7-5-10)14-17-13(20-18-14)9-16-8-12(19)15-2/h4-7,16H,3,8-9H2,1-2H3,(H,15,19).
What are the key properties of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide?
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide has a molecular weight of 274.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide is sourced from PubChem (CID 8772536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).