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

C19H15ClN4O — CID 56738899

IUPAC2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1Cn1ccnc1-c1ccccn1
InChIInChI=1S/C19H15ClN4O/c1-13-17(23-19(25-13)14-6-2-3-7-15(14)20)12-24-11-10-22-18(24)16-8-4-5-9-21-16/h2-11H,12H2,1H3
InChIKeyTVGWQVYCSXQAFA-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.61
Rot. Bonds4

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

2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56738899) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56738899
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2Cl)nc1Cn1ccnc1-c1ccccn1
InChIInChI=1S/C19H15ClN4O/c1-13-17(23-19(25-13)14-6-2-3-7-15(14)20)12-24-11-10-22-18(24)16-8-4-5-9-21-16/h2-11H,12H2,1H3
InChIKeyTVGWQVYCSXQAFA-UHFFFAOYSA-N
XLogP4.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole (CID 56738899) is 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole is Cc1oc(-c2ccccc2Cl)nc1Cn1ccnc1-c1ccccn1.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is TVGWQVYCSXQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-13-17(23-19(25-13)14-6-2-3-7-15(14)20)12-24-11-10-22-18(24)16-8-4-5-9-21-16/h2-11H,12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole?
2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 350.81 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56738899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).