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

C19H13ClFN3OS — CID 16601553

IUPAC2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3nccn3-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H13ClFN3OS/c20-14-3-7-16(8-4-14)24-10-9-22-19(24)26-12-18-23-11-17(25-18)13-1-5-15(21)6-2-13/h1-11H,12H2
InChIKeyCNIPZRVEVMTOHS-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.61
Rot. Bonds5

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

2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole (PubChem CID 16601553) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
PubChem CID16601553
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC Name2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3nccn3-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H13ClFN3OS/c20-14-3-7-16(8-4-14)24-10-9-22-19(24)26-12-18-23-11-17(25-18)13-1-5-15(21)6-2-13/h1-11H,12H2
InChIKeyCNIPZRVEVMTOHS-UHFFFAOYSA-N
XLogP5.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole (CID 16601553) is 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(-c2cnc(CSc3nccn3-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is CNIPZRVEVMTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c20-14-3-7-16(8-4-14)24-10-9-22-19(24)26-12-18-23-11-17(25-18)13-1-5-15(21)6-2-13/h1-11H,12H2.
What are the key properties of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole?
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 385.85 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 16601553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).