2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide

C26H27N5O4 — CID 44591927

IUPAC2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(CN3CCNCC3)cc(-c3nc4ncccc4o3)c2)c(OC)c1
InChIInChI=1S/C26H27N5O4/c1-33-20-5-6-21(23(15-20)34-2)25(32)29-19-13-17(16-31-10-8-27-9-11-31)12-18(14-19)26-30-24-22(35-26)4-3-7-28-24/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,29,32)
InChIKeyQDQVUXPUGJEABG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.56
Rot. Bonds7

About 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide

2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide (PubChem CID 44591927) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide
PubChem CID44591927
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(CN3CCNCC3)cc(-c3nc4ncccc4o3)c2)c(OC)c1
InChIInChI=1S/C26H27N5O4/c1-33-20-5-6-21(23(15-20)34-2)25(32)29-19-13-17(16-31-10-8-27-9-11-31)12-18(14-19)26-30-24-22(35-26)4-3-7-28-24/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,29,32)
InChIKeyQDQVUXPUGJEABG-UHFFFAOYSA-N
XLogP3.56
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide (CID 44591927) is 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(CN3CCNCC3)cc(-c3nc4ncccc4o3)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide?
The InChIKey is QDQVUXPUGJEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-33-20-5-6-21(23(15-20)34-2)25(32)29-19-13-17(16-31-10-8-27-9-11-31)12-18(14-19)26-30-24-22(35-26)4-3-7-28-24/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,29,32).
What are the key properties of 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide?
2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide has a molecular weight of 473.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 44591927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).