3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide

C12H22N4O2 — CID 114183576

IUPAC3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCCc1ncno1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)7-9(13)6-10(17)14-5-4-11-15-8-16-18-11/h8-9H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyHNEQHOZILCEYQD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.88
Rot. Bonds6

About 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide

3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide (PubChem CID 114183576) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
PubChem CID114183576
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCCc1ncno1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)7-9(13)6-10(17)14-5-4-11-15-8-16-18-11/h8-9H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyHNEQHOZILCEYQD-UHFFFAOYSA-N
XLogP0.88
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106397303
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
CID 106397552
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
2-carbamothioyl-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106399310
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175130
2-(1-aminocyclobutyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397532
3-amino-N-(4-amino-4-oxobutyl)-5,5-dimethylhexanamide
CID 113496988

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide?
The IUPAC name of 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide (CID 114183576) is 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide.
What is the SMILES notation for 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide?
The canonical SMILES for 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide is CC(C)(C)CC(N)CC(=O)NCCc1ncno1.
What is the InChIKey of 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide?
The InChIKey is HNEQHOZILCEYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)7-9(13)6-10(17)14-5-4-11-15-8-16-18-11/h8-9H,4-7,13H2,1-3H3,(H,14,17).
What are the key properties of 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide?
3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide has a molecular weight of 254.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide is sourced from PubChem (CID 114183576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).