2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol

C15H21N3O3 — CID 50970463

IUPAC2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol
SMILESCOc1cccc(CN(Cc2noc(C)n2)C(C)C)c1O
InChIInChI=1S/C15H21N3O3/c1-10(2)18(9-14-16-11(3)21-17-14)8-12-6-5-7-13(20-4)15(12)19/h5-7,10,19H,8-9H2,1-4H3
InChIKeyJWZZQIDEJWZYLB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds6

About 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol

2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol (PubChem CID 50970463) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol
PubChem CID50970463
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol
SMILESCOc1cccc(CN(Cc2noc(C)n2)C(C)C)c1O
InChIInChI=1S/C15H21N3O3/c1-10(2)18(9-14-16-11(3)21-17-14)8-12-6-5-7-13(20-4)15(12)19/h5-7,10,19H,8-9H2,1-4H3
InChIKeyJWZZQIDEJWZYLB-UHFFFAOYSA-N
XLogP2.50
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol
CID 50967608
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
CID 111462156
2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol
CID 50955558
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
(2R)-N-ethyl-1-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 94424318
2-bromo-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenol
CID 107234134
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84598501

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol (CID 50970463) is 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol is COc1cccc(CN(Cc2noc(C)n2)C(C)C)c1O.
What is the InChIKey of 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol?
The InChIKey is JWZZQIDEJWZYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)18(9-14-16-11(3)21-17-14)8-12-6-5-7-13(20-4)15(12)19/h5-7,10,19H,8-9H2,1-4H3.
What are the key properties of 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol?
2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol has a molecular weight of 291.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 50970463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).