N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide

C12H22N4O2 — CID 86919203

IUPACN-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
SMILESCCc1noc(CN(C)CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-6-9-13-11(18-15-9)8-16(5)7-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)
InChIKeyYPBRZJLEUFKHCF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds5

About N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide

N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide (PubChem CID 86919203) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
PubChem CID86919203
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
SMILESCCc1noc(CN(C)CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-6-9-13-11(18-15-9)8-16(5)7-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)
InChIKeyYPBRZJLEUFKHCF-UHFFFAOYSA-N
XLogP0.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
CID 24648763
N-[(2R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-methylpropan-2-amine
CID 59777386
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 115638140
1-cyclopropyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]ethanol
CID 111858607
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide (CID 86919203) is N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide is CCc1noc(CN(C)CC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide?
The InChIKey is YPBRZJLEUFKHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-6-9-13-11(18-15-9)8-16(5)7-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17).
What are the key properties of N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide?
N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 86919203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).