[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol

C14H16N2O3 — CID 116882665

IUPAC[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
SMILESCOc1ccc(-c2cnc(C3(CO)COC3)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-18-11-4-2-10(3-5-11)12-6-15-13(16-12)14(7-17)8-19-9-14/h2-6,17H,7-9H2,1H3,(H,15,16)
InChIKeyAQZLKKTZJLUZEQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.35
Rot. Bonds4

About [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol

[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol (PubChem CID 116882665) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
PubChem CID116882665
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
SMILESCOc1ccc(-c2cnc(C3(CO)COC3)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-18-11-4-2-10(3-5-11)12-6-15-13(16-12)14(7-17)8-19-9-14/h2-6,17H,7-9H2,1H3,(H,15,16)
InChIKeyAQZLKKTZJLUZEQ-UHFFFAOYSA-N
XLogP1.35
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878481
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
(R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44591265
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The IUPAC name of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol (CID 116882665) is [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol is COc1ccc(-c2cnc(C3(CO)COC3)[nH]2)cc1.
What is the InChIKey of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The InChIKey is AQZLKKTZJLUZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-4-2-10(3-5-11)12-6-15-13(16-12)14(7-17)8-19-9-14/h2-6,17H,7-9H2,1H3,(H,15,16).
What are the key properties of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol has a molecular weight of 260.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol is sourced from PubChem (CID 116882665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).