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

C11H15N3O3 — CID 62020296

IUPAC2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1noc(-c2ccco2)n1
InChIInChI=1S/C11H15N3O3/c1-2-14(5-6-15)8-10-12-11(17-13-10)9-4-3-7-16-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyMXHDZYGEOICFPH-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.14
Rot. Bonds6

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

2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (PubChem CID 62020296) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
PubChem CID62020296
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1noc(-c2ccco2)n1
InChIInChI=1S/C11H15N3O3/c1-2-14(5-6-15)8-10-12-11(17-13-10)9-4-3-7-16-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyMXHDZYGEOICFPH-UHFFFAOYSA-N
XLogP1.14
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
CID 2990373
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 6462763
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 6464046
5-(Furan-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 1946188
3-[3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 3164329
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylfuran-2-carboxamide
CID 6462372
Furan-2-carboxylic acid ethyl-(3-m-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
CID 6463794
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 6464114
Furan-2-carboxylic acid ethyl-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
CID 6472751
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide
CID 6484582
5-(Furan-2-yl)-1,2,4-oxadiazol-3-amine
CID 12092557
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 2990137

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol (CID 62020296) is 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is CCN(CCO)Cc1noc(-c2ccco2)n1.
What is the InChIKey of 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
The InChIKey is MXHDZYGEOICFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14(5-6-15)8-10-12-11(17-13-10)9-4-3-7-16-9/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol?
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol has a molecular weight of 237.26 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 62020296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).