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

C14H12ClN3OS — CID 24576581

IUPAC3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSc2nccn2-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H12ClN3OS/c1-10-8-12(17-19-10)9-20-14-16-6-7-18(14)13-4-2-11(15)3-5-13/h2-8H,9H2,1H3
InChIKeyZGAZCJYGASJHFT-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.11
Rot. Bonds4

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

3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 24576581) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID24576581
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSc2nccn2-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H12ClN3OS/c1-10-8-12(17-19-10)9-20-14-16-6-7-18(14)13-4-2-11(15)3-5-13/h2-8H,9H2,1H3
InChIKeyZGAZCJYGASJHFT-UHFFFAOYSA-N
XLogP4.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole (CID 24576581) is 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CSc2nccn2-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is ZGAZCJYGASJHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-10-8-12(17-19-10)9-20-14-16-6-7-18(14)13-4-2-11(15)3-5-13/h2-8H,9H2,1H3.
What are the key properties of 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole?
3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 305.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 24576581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).