4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol

C14H19N3O3 — CID 104905754

IUPAC4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESCOC(C)(C)c1noc([C@H](N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C14H19N3O3/c1-14(2,19-3)13-16-12(20-17-13)11(15)8-9-4-6-10(18)7-5-9/h4-7,11,18H,8,15H2,1-3H3/t11-/m1/s1
InChIKeyKMSJMUHIICHLLT-LLVKDONJSA-N
MW277.32 g/mol
LogP1.90
Rot. Bonds5

About 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol

4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (PubChem CID 104905754) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
PubChem CID104905754
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESCOC(C)(C)c1noc([C@H](N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C14H19N3O3/c1-14(2,19-3)13-16-12(20-17-13)11(15)8-9-4-6-10(18)7-5-9/h4-7,11,18H,8,15H2,1-3H3/t11-/m1/s1
InChIKeyKMSJMUHIICHLLT-LLVKDONJSA-N
XLogP1.90
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905819
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697
4-[2-amino-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 65129613
4-[(2S)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905731
4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905732
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79202062
4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
CID 116807586
3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79198201
4-[[5-(1-amino-3-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 55076144
5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79203015

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (CID 104905754) is 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is COC(C)(C)c1noc([C@H](N)Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The InChIKey is KMSJMUHIICHLLT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,19-3)13-16-12(20-17-13)11(15)8-9-4-6-10(18)7-5-9/h4-7,11,18H,8,15H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol has a molecular weight of 277.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is sourced from PubChem (CID 104905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).