2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol

C10H19N3O2 — CID 115638140

IUPAC2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCCc1nc(CN(C)C(C)(C)CO)no1
InChIInChI=1S/C10H19N3O2/c1-5-9-11-8(12-15-9)6-13(4)10(2,3)7-14/h14H,5-7H2,1-4H3
InChIKeyDJOPGBZJHGCERI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds5

About 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol

2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115638140) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115638140
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCCc1nc(CN(C)C(C)(C)CO)no1
InChIInChI=1S/C10H19N3O2/c1-5-9-11-8(12-15-9)6-13(4)10(2,3)7-14/h14H,5-7H2,1-4H3
InChIKeyDJOPGBZJHGCERI-UHFFFAOYSA-N
XLogP0.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 115640885
2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115640871
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111110109
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91842487
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
CID 86919203
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol (CID 115638140) is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol is CCc1nc(CN(C)C(C)(C)CO)no1.
What is the InChIKey of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is DJOPGBZJHGCERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-9-11-8(12-15-9)6-13(4)10(2,3)7-14/h14H,5-7H2,1-4H3.
What are the key properties of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115638140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).