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

C17H14N4OS — CID 20908483

IUPAC4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CSc1nc2ncccc2[nH]1
InChIInChI=1S/C17H14N4OS/c1-11-14(19-16(22-11)12-6-3-2-4-7-12)10-23-17-20-13-8-5-9-18-15(13)21-17/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyLHDCFZNCQVBAMB-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.21
Rot. Bonds4

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

4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 20908483) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
PubChem CID20908483
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CSc1nc2ncccc2[nH]1
InChIInChI=1S/C17H14N4OS/c1-11-14(19-16(22-11)12-6-3-2-4-7-12)10-23-17-20-13-8-5-9-18-15(13)21-17/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyLHDCFZNCQVBAMB-UHFFFAOYSA-N
XLogP4.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135908852
4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 20890471
2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine
CID 141354829
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-[[4-(3-chloropropylsulfanyl)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-imidazo[4,5-b]pyridine;dihydrochloride
CID 67583920
3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 10449854
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922170
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 95919305
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16611480
4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16588636
2-(2-methylfuran-3-yl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 16611496

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole (CID 20908483) is 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CSc1nc2ncccc2[nH]1.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is LHDCFZNCQVBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-14(19-16(22-11)12-6-3-2-4-7-12)10-23-17-20-13-8-5-9-18-15(13)21-17/h2-9H,10H2,1H3,(H,18,20,21).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole?
4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 322.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 20908483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).