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

C11H13N3O3 — CID 104633124

IUPAC2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(COc2ccccc2)n1
InChIInChI=1S/C11H13N3O3/c12-9(6-15)11-13-10(17-14-11)7-16-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2
InChIKeyAQWQCRIVZYAQBL-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.64
Rot. Bonds5

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

2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633124) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633124
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(COc2ccccc2)n1
InChIInChI=1S/C11H13N3O3/c12-9(6-15)11-13-10(17-14-11)7-16-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2
InChIKeyAQWQCRIVZYAQBL-UHFFFAOYSA-N
XLogP0.64
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635682
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633193
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633252
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 82284630
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633124) is 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(COc2ccccc2)n1.
What is the InChIKey of 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is AQWQCRIVZYAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-9(6-15)11-13-10(17-14-11)7-16-8-4-2-1-3-5-8/h1-5,9,15H,6-7,12H2.
What are the key properties of 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 235.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).