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

C26H24N4O2S — CID 20890541

IUPAC2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3c(SCc4ccc(C)cc4)nc4ccncc43)c(C)o2)cc1
InChIInChI=1S/C26H24N4O2S/c1-17-4-6-19(7-5-17)16-33-26-29-22-12-13-27-14-24(22)30(26)15-23-18(2)32-25(28-23)20-8-10-21(31-3)11-9-20/h4-14H,15-16H2,1-3H3
InChIKeyPWVYYUPVECOPGR-UHFFFAOYSA-N
MW456.57 g/mol
LogP6.05
Rot. Bonds7

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

2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole (PubChem CID 20890541) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole
PubChem CID20890541
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3c(SCc4ccc(C)cc4)nc4ccncc43)c(C)o2)cc1
InChIInChI=1S/C26H24N4O2S/c1-17-4-6-19(7-5-17)16-33-26-29-22-12-13-27-14-24(22)30(26)15-23-18(2)32-25(28-23)20-8-10-21(31-3)11-9-20/h4-14H,15-16H2,1-3H3
InChIKeyPWVYYUPVECOPGR-UHFFFAOYSA-N
XLogP6.05
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 20890731
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 20890783
methyl 4-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate
CID 20887072
3-[(4-methoxyphenyl)methyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 46297619
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 20890471
N-(2-chloro-4-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890764
[4-[[3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 20891018
N-[(4-ethoxyphenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288341
4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 46386654
2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone
CID 46288215

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole (CID 20890541) is 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole is COc1ccc(-c2nc(Cn3c(SCc4ccc(C)cc4)nc4ccncc43)c(C)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole?
The InChIKey is PWVYYUPVECOPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-17-4-6-19(7-5-17)16-33-26-29-22-12-13-27-14-24(22)30(26)15-23-18(2)32-25(28-23)20-8-10-21(31-3)11-9-20/h4-14H,15-16H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole?
2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole has a molecular weight of 456.57 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 20890541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).