4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

C18H16N4O2S — CID 20890471

IUPAC4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CSc3nc4ccncc4[nH]3)c(C)o2)cc1
InChIInChI=1S/C18H16N4O2S/c1-11-16(10-25-18-21-14-7-8-19-9-15(14)22-18)20-17(24-11)12-3-5-13(23-2)6-4-12/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyCYPAZVFARSKRMY-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.22
Rot. Bonds5

About 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 20890471) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID20890471
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CSc3nc4ccncc4[nH]3)c(C)o2)cc1
InChIInChI=1S/C18H16N4O2S/c1-11-16(10-25-18-21-14-7-8-19-9-15(14)22-18)20-17(24-11)12-3-5-13(23-2)6-4-12/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyCYPAZVFARSKRMY-UHFFFAOYSA-N
XLogP4.22
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
CID 15037656
4-(4-methoxyphenyl)-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135908852
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole
CID 20890541
4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 20908483
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 46386654
2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
CID 20890494
4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 20890929
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5,6,7,8-tetrahydroisoquinoline
CID 19979567
3-(4-methoxyphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 46297542
2-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135908868

Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (CID 20890471) is 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(CSc3nc4ccncc4[nH]3)c(C)o2)cc1.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is CYPAZVFARSKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-16(10-25-18-21-14-7-8-19-9-15(14)22-18)20-17(24-11)12-3-5-13(23-2)6-4-12/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 352.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 20890471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).