3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one

C17H17N3O3 — CID 163308470

IUPAC3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(OCc2ccc3c(n2)NCC3)cc1
InChIInChI=1S/C17H17N3O3/c21-17-20(9-10-22-17)14-3-5-15(6-4-14)23-11-13-2-1-12-7-8-18-16(12)19-13/h1-6H,7-11H2,(H,18,19)
InChIKeyHHPLYQRWWHSEDQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.59
Rot. Bonds4

About 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one

3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 163308470) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one
PubChem CID163308470
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(OCc2ccc3c(n2)NCC3)cc1
InChIInChI=1S/C17H17N3O3/c21-17-20(9-10-22-17)14-3-5-15(6-4-14)23-11-13-2-1-12-7-8-18-16(12)19-13/h1-6H,7-11H2,(H,18,19)
InChIKeyHHPLYQRWWHSEDQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one (CID 163308470) is 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(OCc2ccc3c(n2)NCC3)cc1.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HHPLYQRWWHSEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17-20(9-10-22-17)14-3-5-15(6-4-14)23-11-13-2-1-12-7-8-18-16(12)19-13/h1-6H,7-11H2,(H,18,19).
What are the key properties of 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one?
3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 163308470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).