2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole

C13H10ClN3O — CID 15925562

IUPAC2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
SMILESClc1ccccc1-c1nc(Cn2ccnc2)co1
InChIInChI=1S/C13H10ClN3O/c14-12-4-2-1-3-11(12)13-16-10(8-18-13)7-17-6-5-15-9-17/h1-6,8-9H,7H2
InChIKeyAAVLFGLMCSEIQJ-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole

2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole (PubChem CID 15925562) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
PubChem CID15925562
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
SMILESClc1ccccc1-c1nc(Cn2ccnc2)co1
InChIInChI=1S/C13H10ClN3O/c14-12-4-2-1-3-11(12)13-16-10(8-18-13)7-17-6-5-15-9-17/h1-6,8-9H,7H2
InChIKeyAAVLFGLMCSEIQJ-UHFFFAOYSA-N
XLogP3.24
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.24
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-(imidazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole (CID 15925562) is 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole is Clc1ccccc1-c1nc(Cn2ccnc2)co1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is AAVLFGLMCSEIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-12-4-2-1-3-11(12)13-16-10(8-18-13)7-17-6-5-15-9-17/h1-6,8-9H,7H2.
What are the key properties of 2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
2-(2-chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 259.70 g/mol, XLogP of 3.24, 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-(imidazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 15925562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).