2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol

C10H18ClN3O2 — CID 106956989

IUPAC2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nnc(C(C)Cl)o1
InChIInChI=1S/C10H18ClN3O2/c1-3-4-5-14(6-7-15)10-13-12-9(16-10)8(2)11/h8,15H,3-7H2,1-2H3
InChIKeyGRWBXVVYOZFQHL-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.97
Rot. Bonds7

About 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol

2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol (PubChem CID 106956989) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
PubChem CID106956989
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nnc(C(C)Cl)o1
InChIInChI=1S/C10H18ClN3O2/c1-3-4-5-14(6-7-15)10-13-12-9(16-10)8(2)11/h8,15H,3-7H2,1-2H3
InChIKeyGRWBXVVYOZFQHL-UHFFFAOYSA-N
XLogP1.97
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958613
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495556
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495569
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513036
2-[benzyl-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106960309
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
5-(1-chloroethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106958009
1-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
CID 106957420
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol (CID 106956989) is 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol is CCCCN(CCO)c1nnc(C(C)Cl)o1.
What is the InChIKey of 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The InChIKey is GRWBXVVYOZFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-3-4-5-14(6-7-15)10-13-12-9(16-10)8(2)11/h8,15H,3-7H2,1-2H3.
What are the key properties of 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol has a molecular weight of 247.73 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 106956989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).