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

C12H21N3O2 — CID 115631711

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C12H21N3O2/c1-5-6-15(7-8-16)9-10-13-14-11(17-10)12(2,3)4/h5,16H,1,6-9H2,2-4H3
InChIKeyDCVVNOAOAXZWQX-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.35
Rot. Bonds6

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 115631711) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
PubChem CID115631711
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C12H21N3O2/c1-5-6-15(7-8-16)9-10-13-14-11(17-10)12(2,3)4/h5,16H,1,6-9H2,2-4H3
InChIKeyDCVVNOAOAXZWQX-UHFFFAOYSA-N
XLogP1.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 51074720
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 51078453
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 52342688
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 52342692
2-[Ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 60239901
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
CID 60711752
2-[Butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 62015618
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62015891
2-[Butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 62016195

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol (CID 115631711) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is DCVVNOAOAXZWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-15(7-8-16)9-10-13-14-11(17-10)12(2,3)4/h5,16H,1,6-9H2,2-4H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.35, 6 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-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).