2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide

C17H13N3O4 — CID 30850626

IUPAC2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccnc1
InChIInChI=1S/C17H13N3O4/c21-17(19-12-2-1-5-18-9-12)8-13-7-15(24-20-13)11-3-4-14-16(6-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,21)
InChIKeyHHBQGBUSJOVHJA-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.65
Rot. Bonds4

About 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide

2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide (PubChem CID 30850626) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide
PubChem CID30850626
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccnc1
InChIInChI=1S/C17H13N3O4/c21-17(19-12-2-1-5-18-9-12)8-13-7-15(24-20-13)11-3-4-14-16(6-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,21)
InChIKeyHHBQGBUSJOVHJA-UHFFFAOYSA-N
XLogP2.65
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide
CID 30850510
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 50757777
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
3-(1,3-benzodioxol-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 694814
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-(4-hydroxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 155556405
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide (CID 30850626) is 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide is O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccnc1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide?
The InChIKey is HHBQGBUSJOVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(19-12-2-1-5-18-9-12)8-13-7-15(24-20-13)11-3-4-14-16(6-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,21).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide?
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide has a molecular weight of 323.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 30850626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).