2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide

C17H14ClN3O4 — CID 146046948

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cc2c(cc1Cl)OCCO2)NCc1nc2ncccc2o1
InChIInChI=1S/C17H14ClN3O4/c18-11-8-14-13(23-4-5-24-14)6-10(11)7-15(22)20-9-16-21-17-12(25-16)2-1-3-19-17/h1-3,6,8H,4-5,7,9H2,(H,20,22)
InChIKeyHHSICYQMPZZZKL-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.51
Rot. Bonds4

About 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide (PubChem CID 146046948) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide
PubChem CID146046948
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cc2c(cc1Cl)OCCO2)NCc1nc2ncccc2o1
InChIInChI=1S/C17H14ClN3O4/c18-11-8-14-13(23-4-5-24-14)6-10(11)7-15(22)20-9-16-21-17-12(25-16)2-1-3-19-17/h1-3,6,8H,4-5,7,9H2,(H,20,22)
InChIKeyHHSICYQMPZZZKL-UHFFFAOYSA-N
XLogP2.51
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 135114402
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1143884
N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide
CID 146038711
[1,3]oxazolo[4,5-b]pyridin-2-ylmethanol
CID 83383622
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide
CID 146042378
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]ethanone
CID 58067399
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 135112641
N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135629625
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1167017
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 17488428
2-chloro-5-iodo-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336639

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide (CID 146046948) is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide is O=C(Cc1cc2c(cc1Cl)OCCO2)NCc1nc2ncccc2o1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide?
The InChIKey is HHSICYQMPZZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-11-8-14-13(23-4-5-24-14)6-10(11)7-15(22)20-9-16-21-17-12(25-16)2-1-3-19-17/h1-3,6,8H,4-5,7,9H2,(H,20,22).
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide?
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide has a molecular weight of 359.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 146046948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).