(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol

C18H20N4O3 — CID 134927347

IUPAC(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc([C@H](O)Cn2cc(-c3ccc(CON)cc3)nn2)c1
InChIInChI=1S/C18H20N4O3/c1-24-16-4-2-3-15(9-16)18(23)11-22-10-17(20-21-22)14-7-5-13(6-8-14)12-25-19/h2-10,18,23H,11-12,19H2,1H3/t18-/m1/s1
InChIKeyVHLDMKBFYSQAQH-GOSISDBHSA-N
MW340.38 g/mol
LogP2.08
Rot. Bonds7

About (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol

(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol (PubChem CID 134927347) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol
PubChem CID134927347
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc([C@H](O)Cn2cc(-c3ccc(CON)cc3)nn2)c1
InChIInChI=1S/C18H20N4O3/c1-24-16-4-2-3-15(9-16)18(23)11-22-10-17(20-21-22)14-7-5-13(6-8-14)12-25-19/h2-10,18,23H,11-12,19H2,1H3/t18-/m1/s1
InChIKeyVHLDMKBFYSQAQH-GOSISDBHSA-N
XLogP2.08
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol 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

1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol
CID 167807603
methyl 1-[2-hydroxy-2-(3-methylphenyl)ethyl]triazole-4-carboxylate
CID 56771380
2-[4-(4-methylphenyl)triazol-1-yl]ethane-1,1-diol
CID 134693308
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
1-[2-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)ethyl]-4-phenyltriazole
CID 102347136
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
5-(aminomethyl)-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]triazole-4-carboxylic acid
CID 103121505
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110885117
(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
CID 137411369
1-(3-methoxyphenyl)-2-[1-[2-(methylamino)ethyl]tetrazol-5-yl]sulfanylethanol
CID 81135186

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol (CID 134927347) is (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol is COc1cccc([C@H](O)Cn2cc(-c3ccc(CON)cc3)nn2)c1.
What is the InChIKey of (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is VHLDMKBFYSQAQH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-16-4-2-3-15(9-16)18(23)11-22-10-17(20-21-22)14-7-5-13(6-8-14)12-25-19/h2-10,18,23H,11-12,19H2,1H3/t18-/m1/s1.
What are the key properties of (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol?
(1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol has a molecular weight of 340.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[4-(aminooxymethyl)phenyl]triazol-1-yl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 134927347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).