[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium

C16H23N4O2+ — CID 8767090

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)17-13(21)10-20(4)11-14-18-19-15(22-14)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)/p+1
InChIKeyBXFBWJSETWTYJO-UHFFFAOYSA-O
MW303.39 g/mol
LogP0.67
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8767090) has the molecular formula C16H23N4O2+ and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID8767090
Molecular FormulaC16H23N4O2+
Molecular Weight303.39 g/mol
Exact Mass303.18
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)17-13(21)10-20(4)11-14-18-19-15(22-14)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)/p+1
InChIKeyBXFBWJSETWTYJO-UHFFFAOYSA-O
XLogP0.67
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9303229
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223729
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium
CID 8768546
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104832
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8767090) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium is C[NH+](CC(=O)NC(C)(C)C)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is BXFBWJSETWTYJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)17-13(21)10-20(4)11-14-18-19-15(22-14)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,21)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 303.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8767090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).