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

C10H19N3O2 — CID 62020627

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)9-12-11-8(15-9)7-13(4)5-6-14/h14H,5-7H2,1-4H3
InChIKeyBRBKLVBDGRPCBK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.79
Rot. Bonds4

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol (PubChem CID 62020627) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
PubChem CID62020627
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)9-12-11-8(15-9)7-13(4)5-6-14/h14H,5-7H2,1-4H3
InChIKeyBRBKLVBDGRPCBK-UHFFFAOYSA-N
XLogP0.79
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol (CID 62020627) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol is CN(CCO)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol?
The InChIKey is BRBKLVBDGRPCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)9-12-11-8(15-9)7-13(4)5-6-14/h14H,5-7H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 62020627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).