2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol

C10H19N3O2 — CID 62021145

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCCc1nnc(CN(CCO)C(C)C)o1
InChIInChI=1S/C10H19N3O2/c1-4-9-11-12-10(15-9)7-13(5-6-14)8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyXAJQIJLDDBVHGV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds6

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 62021145) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol
PubChem CID62021145
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCCc1nnc(CN(CCO)C(C)C)o1
InChIInChI=1S/C10H19N3O2/c1-4-9-11-12-10(15-9)7-13(5-6-14)8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyXAJQIJLDDBVHGV-UHFFFAOYSA-N
XLogP0.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

1,3,4-Oxadiazole, 2-(1-(diisopropylamino)ethyl)-
CID 36127
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylethanamine
CID 51078454
2-(((5-Ethyl-1,3,4-oxadiazol-2-yl)methyl)(propyl)amino)ethan-1-ol
CID 52263018
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856874
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857824
2-[2,2-Difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485017
2-[2,2-Difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485569
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
3-[1-(5-Ethyl-1,3,4-oxadiazol-2-yl)ethyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 109968017
3-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022255
3-[(5-Propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109904

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol (CID 62021145) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol is CCc1nnc(CN(CCO)C(C)C)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is XAJQIJLDDBVHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-9-11-12-10(15-9)7-13(5-6-14)8(2)3/h8,14H,4-7H2,1-3H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62021145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).