5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole

C18H13ClN4O — CID 70765037

IUPAC5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole
SMILESClc1ccccc1-c1cc(Cn2ccnc2-c2ccncc2)no1
InChIInChI=1S/C18H13ClN4O/c19-16-4-2-1-3-15(16)17-11-14(22-24-17)12-23-10-9-21-18(23)13-5-7-20-8-6-13/h1-11H,12H2
InChIKeyITDJHTNDFVJWOH-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.30
Rot. Bonds4

About 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole

5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole (PubChem CID 70765037) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole
PubChem CID70765037
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole
SMILESClc1ccccc1-c1cc(Cn2ccnc2-c2ccncc2)no1
InChIInChI=1S/C18H13ClN4O/c19-16-4-2-1-3-15(16)17-11-14(22-24-17)12-23-10-9-21-18(23)13-5-7-20-8-6-13/h1-11H,12H2
InChIKeyITDJHTNDFVJWOH-UHFFFAOYSA-N
XLogP4.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole (CID 70765037) is 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole is Clc1ccccc1-c1cc(Cn2ccnc2-c2ccncc2)no1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is ITDJHTNDFVJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-16-4-2-1-3-15(16)17-11-14(22-24-17)12-23-10-9-21-18(23)13-5-7-20-8-6-13/h1-11H,12H2.
What are the key properties of 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole?
5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 336.78 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[(2-pyridin-4-ylimidazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 70765037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).