2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide

C16H12N4O4 — CID 3861740

IUPAC2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OCO4)co2)cn1
InChIInChI=1S/C16H12N4O4/c17-14-4-1-9(6-18-14)16-20-11(7-22-16)15(21)19-10-2-3-12-13(5-10)24-8-23-12/h1-7H,8H2,(H2,17,18)(H,19,21)
InChIKeyKFEFUPFFJUSSQY-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.30
Rot. Bonds3

About 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide

2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3861740) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID3861740
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OCO4)co2)cn1
InChIInChI=1S/C16H12N4O4/c17-14-4-1-9(6-18-14)16-20-11(7-22-16)15(21)19-10-2-3-12-13(5-10)24-8-23-12/h1-7H,8H2,(H2,17,18)(H,19,21)
InChIKeyKFEFUPFFJUSSQY-UHFFFAOYSA-N
XLogP2.30
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318
6-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151460
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197
N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
CID 96596349
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 26718880
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide (CID 3861740) is 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide is Nc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OCO4)co2)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is KFEFUPFFJUSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c17-14-4-1-9(6-18-14)16-20-11(7-22-16)15(21)19-10-2-3-12-13(5-10)24-8-23-12/h1-7H,8H2,(H2,17,18)(H,19,21).
What are the key properties of 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide?
2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3861740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).