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

C19H18N4O — CID 86267305

IUPAC3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]c(C)c(Cc3cccnc3)c2c1
InChIInChI=1S/C19H18N4O/c1-11-16(7-14-5-4-6-20-9-14)17-8-15(10-21-19(17)22-11)18-12(2)23-24-13(18)3/h4-6,8-10H,7H2,1-3H3,(H,21,22)
InChIKeyCJJRBQCDHICJCL-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.13
Rot. Bonds3

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

3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole (PubChem CID 86267305) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
PubChem CID86267305
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2[nH]c(C)c(Cc3cccnc3)c2c1
InChIInChI=1S/C19H18N4O/c1-11-16(7-14-5-4-6-20-9-14)17-8-15(10-21-19(17)22-11)18-12(2)23-24-13(18)3/h4-6,8-10H,7H2,1-3H3,(H,21,22)
InChIKeyCJJRBQCDHICJCL-UHFFFAOYSA-N
XLogP4.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole (CID 86267305) is 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2[nH]c(C)c(Cc3cccnc3)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
The InChIKey is CJJRBQCDHICJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-16(7-14-5-4-6-20-9-14)17-8-15(10-21-19(17)22-11)18-12(2)23-24-13(18)3/h4-6,8-10H,7H2,1-3H3,(H,21,22).
What are the key properties of 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole has a molecular weight of 318.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole is sourced from PubChem (CID 86267305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).