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

C15H21N3O3 — CID 104905819

IUPAC4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESCOC(c1noc([C@H](N)Cc2ccc(O)cc2)n1)C(C)C
InChIInChI=1S/C15H21N3O3/c1-9(2)13(20-3)14-17-15(21-18-14)12(16)8-10-4-6-11(19)7-5-10/h4-7,9,12-13,19H,8,16H2,1-3H3/t12-,13?/m1/s1
InChIKeyWQXDJQWDMFFBRP-PZORYLMUSA-N
MW291.35 g/mol
LogP2.36
Rot. Bonds6

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

4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (PubChem CID 104905819) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
PubChem CID104905819
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESCOC(c1noc([C@H](N)Cc2ccc(O)cc2)n1)C(C)C
InChIInChI=1S/C15H21N3O3/c1-9(2)13(20-3)14-17-15(21-18-14)12(16)8-10-4-6-11(19)7-5-10/h4-7,9,12-13,19H,8,16H2,1-3H3/t12-,13?/m1/s1
InChIKeyWQXDJQWDMFFBRP-PZORYLMUSA-N
XLogP2.36
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905754
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821
(1R)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909625
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697
3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732859
4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
CID 116807586
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
4-[2-amino-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 65129613
4-[2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116702947
3-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116733802

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (CID 104905819) is 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is COC(c1noc([C@H](N)Cc2ccc(O)cc2)n1)C(C)C.
What is the InChIKey of 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The InChIKey is WQXDJQWDMFFBRP-PZORYLMUSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)13(20-3)14-17-15(21-18-14)12(16)8-10-4-6-11(19)7-5-10/h4-7,9,12-13,19H,8,16H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol has a molecular weight of 291.35 g/mol, XLogP of 2.36, 6 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-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is sourced from PubChem (CID 104905819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).