4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole

C24H19ClN4OS — CID 6623601

IUPAC4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1c(SCc2cccc(Cl)c2)nc2ccncc21
InChIInChI=1S/C24H19ClN4OS/c1-16-21(27-23(30-16)18-7-3-2-4-8-18)14-29-22-13-26-11-10-20(22)28-24(29)31-15-17-6-5-9-19(25)12-17/h2-13H,14-15H2,1H3
InChIKeyNWTLGHCFRVFPSX-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.39
Rot. Bonds6

About 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 6623601) has the molecular formula C24H19ClN4OS and a molecular weight of 446.96 g/mol. Its IUPAC name is 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID6623601
Molecular FormulaC24H19ClN4OS
Molecular Weight446.96 g/mol
Exact Mass446.10
IUPAC Name4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1c(SCc2cccc(Cl)c2)nc2ccncc21
InChIInChI=1S/C24H19ClN4OS/c1-16-21(27-23(30-16)18-7-3-2-4-8-18)14-29-22-13-26-11-10-20(22)28-24(29)31-15-17-6-5-9-19(25)12-17/h2-13H,14-15H2,1H3
InChIKeyNWTLGHCFRVFPSX-UHFFFAOYSA-N
XLogP6.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole (CID 6623601) is 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1Cn1c(SCc2cccc(Cl)c2)nc2ccncc21.
What is the InChIKey of 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is NWTLGHCFRVFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4OS/c1-16-21(27-23(30-16)18-7-3-2-4-8-18)14-29-22-13-26-11-10-20(22)28-24(29)31-15-17-6-5-9-19(25)12-17/h2-13H,14-15H2,1H3.
What are the key properties of 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 446.96 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 6623601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).