6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole

C16H15N3O2 — CID 163318913

IUPAC6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OCc3ccc4c(n3)NCC4)cc2o1
InChIInChI=1S/C16H15N3O2/c1-10-18-14-5-4-13(8-15(14)21-10)20-9-12-3-2-11-6-7-17-16(11)19-12/h2-5,8H,6-7,9H2,1H3,(H,17,19)
InChIKeyZFTZLDSBMLYBQB-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.08
Rot. Bonds3

About 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole

6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole (PubChem CID 163318913) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole
PubChem CID163318913
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OCc3ccc4c(n3)NCC4)cc2o1
InChIInChI=1S/C16H15N3O2/c1-10-18-14-5-4-13(8-15(14)21-10)20-9-12-3-2-11-6-7-17-16(11)19-12/h2-5,8H,6-7,9H2,1H3,(H,17,19)
InChIKeyZFTZLDSBMLYBQB-UHFFFAOYSA-N
XLogP3.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole (CID 163318913) is 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole is Cc1nc2ccc(OCc3ccc4c(n3)NCC4)cc2o1.
What is the InChIKey of 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole?
The InChIKey is ZFTZLDSBMLYBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-18-14-5-4-13(8-15(14)21-10)20-9-12-3-2-11-6-7-17-16(11)19-12/h2-5,8H,6-7,9H2,1H3,(H,17,19).
What are the key properties of 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole?
6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole has a molecular weight of 281.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 163318913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).