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

C16H16ClN3O — CID 56748666

IUPAC2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cn(Cc2nc(-c3ccccc3Cl)oc2C)c(C)n1
InChIInChI=1S/C16H16ClN3O/c1-10-8-20(12(3)18-10)9-15-11(2)21-16(19-15)13-6-4-5-7-14(13)17/h4-8H,9H2,1-3H3
InChIKeyFYKZIIIGFCRMQN-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.17
Rot. Bonds3

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

2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 56748666) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID56748666
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cn(Cc2nc(-c3ccccc3Cl)oc2C)c(C)n1
InChIInChI=1S/C16H16ClN3O/c1-10-8-20(12(3)18-10)9-15-11(2)21-16(19-15)13-6-4-5-7-14(13)17/h4-8H,9H2,1-3H3
InChIKeyFYKZIIIGFCRMQN-UHFFFAOYSA-N
XLogP4.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole (CID 56748666) is 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole is Cc1cn(Cc2nc(-c3ccccc3Cl)oc2C)c(C)n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is FYKZIIIGFCRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-8-20(12(3)18-10)9-15-11(2)21-16(19-15)13-6-4-5-7-14(13)17/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 301.78 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 56748666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).