2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol

C17H25N3O2 — CID 111432014

IUPAC2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
SMILESCCc1noc(CN(Cc2ccccc2)C(CO)C(C)C)n1
InChIInChI=1S/C17H25N3O2/c1-4-16-18-17(22-19-16)11-20(15(12-21)13(2)3)10-14-8-6-5-7-9-14/h5-9,13,15,21H,4,10-12H2,1-3H3
InChIKeyXMYJIZYZZOPXSX-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.65
Rot. Bonds8

About 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol

2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol (PubChem CID 111432014) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
PubChem CID111432014
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
SMILESCCc1noc(CN(Cc2ccccc2)C(CO)C(C)C)n1
InChIInChI=1S/C17H25N3O2/c1-4-16-18-17(22-19-16)11-20(15(12-21)13(2)3)10-14-8-6-5-7-9-14/h5-9,13,15,21H,4,10-12H2,1-3H3
InChIKeyXMYJIZYZZOPXSX-UHFFFAOYSA-N
XLogP2.65
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
CID 111462156
2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
CID 111462171
(2S)-2-[(4-methoxyphenyl)methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 110010046
2-[benzyl-[(5-chlorothiadiazol-4-yl)methyl]amino]-3-methylbutan-1-ol
CID 56792918
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107366992
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
CID 119146511
1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 86843175
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
CID 111462145
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 94817190

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol (CID 111432014) is 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol is CCc1noc(CN(Cc2ccccc2)C(CO)C(C)C)n1.
What is the InChIKey of 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol?
The InChIKey is XMYJIZYZZOPXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-16-18-17(22-19-16)11-20(15(12-21)13(2)3)10-14-8-6-5-7-9-14/h5-9,13,15,21H,4,10-12H2,1-3H3.
What are the key properties of 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol?
2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 111432014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).