[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol

C24H21N3O2 — CID 174239497

IUPAC[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
SMILESCCc1nccn1Cc1cc(-c2ccc(C#Cc3ccc(CO)cc3)cc2)on1
InChIInChI=1S/C24H21N3O2/c1-2-24-25-13-14-27(24)16-22-15-23(29-26-22)21-11-9-19(10-12-21)4-3-18-5-7-20(17-28)8-6-18/h5-15,28H,2,16-17H2,1H3
InChIKeyVKMILFYBKKYGPM-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.04
Rot. Bonds5

About [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol

[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol (PubChem CID 174239497) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
PubChem CID174239497
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol
SMILESCCc1nccn1Cc1cc(-c2ccc(C#Cc3ccc(CO)cc3)cc2)on1
InChIInChI=1S/C24H21N3O2/c1-2-24-25-13-14-27(24)16-22-15-23(29-26-22)21-11-9-19(10-12-21)4-3-18-5-7-20(17-28)8-6-18/h5-15,28H,2,16-17H2,1H3
InChIKeyVKMILFYBKKYGPM-UHFFFAOYSA-N
XLogP4.04
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol?
The IUPAC name of [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol (CID 174239497) is [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol?
The canonical SMILES for [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol is CCc1nccn1Cc1cc(-c2ccc(C#Cc3ccc(CO)cc3)cc2)on1.
What is the InChIKey of [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol?
The InChIKey is VKMILFYBKKYGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-24-25-13-14-27(24)16-22-15-23(29-26-22)21-11-9-19(10-12-21)4-3-18-5-7-20(17-28)8-6-18/h5-15,28H,2,16-17H2,1H3.
What are the key properties of [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol?
[4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol has a molecular weight of 383.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[3-[(2-ethylimidazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]methanol is sourced from PubChem (CID 174239497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).