2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol

C15H21N3O3 — CID 67585925

IUPAC2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol
SMILESCOc1ccccc1Cc1nc(CC(C)C(N)CO)no1
InChIInChI=1S/C15H21N3O3/c1-10(12(16)9-19)7-14-17-15(21-18-14)8-11-5-3-4-6-13(11)20-2/h3-6,10,12,19H,7-9,16H2,1-2H3
InChIKeyFJTPACAVARVSQS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.17
Rot. Bonds7

About 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol

2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol (PubChem CID 67585925) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol
PubChem CID67585925
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol
SMILESCOc1ccccc1Cc1nc(CC(C)C(N)CO)no1
InChIInChI=1S/C15H21N3O3/c1-10(12(16)9-19)7-14-17-15(21-18-14)8-11-5-3-4-6-13(11)20-2/h3-6,10,12,19H,7-9,16H2,1-2H3
InChIKeyFJTPACAVARVSQS-UHFFFAOYSA-N
XLogP1.17
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol (CID 67585925) is 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol is COc1ccccc1Cc1nc(CC(C)C(N)CO)no1.
What is the InChIKey of 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol?
The InChIKey is FJTPACAVARVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(12(16)9-19)7-14-17-15(21-18-14)8-11-5-3-4-6-13(11)20-2/h3-6,10,12,19H,7-9,16H2,1-2H3.
What are the key properties of 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol?
2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol has a molecular weight of 291.35 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 67585925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).