3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole

C18H15N3O — CID 86267303

IUPAC3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C18H15N3O/c1-11-17(12(2)22-21-11)15-8-14-9-16(20-18(14)19-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)
InChIKeyVHWNJGSKZXOIPW-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.50
Rot. Bonds2

About 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole

3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole (PubChem CID 86267303) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
PubChem CID86267303
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C18H15N3O/c1-11-17(12(2)22-21-11)15-8-14-9-16(20-18(14)19-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)
InChIKeyVHWNJGSKZXOIPW-UHFFFAOYSA-N
XLogP4.50
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole (CID 86267303) is 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole is Cc1noc(C)c1-c1cnc2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
The InChIKey is VHWNJGSKZXOIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-17(12(2)22-21-11)15-8-14-9-16(20-18(14)19-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole?
3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole has a molecular weight of 289.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole is sourced from PubChem (CID 86267303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).