3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole

C19H16N4O2 — CID 53176373

IUPAC3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(Cc3noc(-c4ccncc4)n3)c(C)o2)c1
InChIInChI=1S/C19H16N4O2/c1-12-4-3-5-15(10-12)18-21-16(13(2)24-18)11-17-22-19(25-23-17)14-6-8-20-9-7-14/h3-10H,11H2,1-2H3
InChIKeyBTNUZYLSOSMMHD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.99
Rot. Bonds4

About 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole

3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 53176373) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID53176373
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(Cc3noc(-c4ccncc4)n3)c(C)o2)c1
InChIInChI=1S/C19H16N4O2/c1-12-4-3-5-15(10-12)18-21-16(13(2)24-18)11-17-22-19(25-23-17)14-6-8-20-9-7-14/h3-10H,11H2,1-2H3
InChIKeyBTNUZYLSOSMMHD-UHFFFAOYSA-N
XLogP3.99
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

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CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
1-(Oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one
CID 44389776
3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 4089406
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 645805
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
CID 664958
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 718610
N-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)hexanamide
CID 3245177
1-[3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea
CID 24712013
N-hydroxy-1,1-dimethyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3H-isoindole-4-carboxamide
CID 145962427

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 53176373) is 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole is Cc1cccc(-c2nc(Cc3noc(-c4ccncc4)n3)c(C)o2)c1.
What is the InChIKey of 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is BTNUZYLSOSMMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-4-3-5-15(10-12)18-21-16(13(2)24-18)11-17-22-19(25-23-17)14-6-8-20-9-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).