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

C14H12ClN3O — CID 56672942

IUPAC2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1cn(Cc2coc(-c3ccccc3Cl)n2)cn1
InChIInChI=1S/C14H12ClN3O/c1-10-6-18(9-16-10)7-11-8-19-14(17-11)12-4-2-3-5-13(12)15/h2-6,8-9H,7H2,1H3
InChIKeyNOPGIEBCNSVLRD-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.55
Rot. Bonds3

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

2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56672942) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56672942
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCc1cn(Cc2coc(-c3ccccc3Cl)n2)cn1
InChIInChI=1S/C14H12ClN3O/c1-10-6-18(9-16-10)7-11-8-19-14(17-11)12-4-2-3-5-13(12)15/h2-6,8-9H,7H2,1H3
InChIKeyNOPGIEBCNSVLRD-UHFFFAOYSA-N
XLogP3.55
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.55
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-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole (CID 56672942) is 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole is Cc1cn(Cc2coc(-c3ccccc3Cl)n2)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is NOPGIEBCNSVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10-6-18(9-16-10)7-11-8-19-14(17-11)12-4-2-3-5-13(12)15/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 273.72 g/mol, XLogP of 3.55, 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-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56672942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).