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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Related Compounds

CID 9551376
CID 9551376
CID 16011429
CID 16011429
CID 16011781
CID 16011781
CID 16011840
CID 16011840
CID 16011846
CID 16011846
CID 16011849
CID 16011849
CID 16020967
CID 16020967
CID 16020999
CID 16020999
CID 16021039
CID 16021039
CID 16011783
CID 16011783
CID 16011870
CID 16011870
CID 2999547
CID 2999547

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).