5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C16H11N3O4 — CID 3242920

IUPAC5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H11N3O4/c20-16(18-11-2-1-5-17-8-11)12-7-14(23-19-12)10-3-4-13-15(6-10)22-9-21-13/h1-8H,9H2,(H,18,20)
InChIKeyLZIBMYOOOXZTNN-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.72
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 3242920) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID3242920
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C16H11N3O4/c20-16(18-11-2-1-5-17-8-11)12-7-14(23-19-12)10-3-4-13-15(6-10)22-9-21-13/h1-8H,9H2,(H,18,20)
InChIKeyLZIBMYOOOXZTNN-UHFFFAOYSA-N
XLogP2.72
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
N-allyl-5-(1,3-benzodioxol-5-yl)isoxazole-3-carboxamide
CID 3423164
5-(1,3-benzodioxol-5-yl)-N-(sec-butyl)isoxazole-3-carboxamide
CID 3662254
[5-(1,3-Benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
CID 4080332
1-{[5-(1,3-Benzodioxol-5-yl)-3-isoxazolyl]carbonyl}-2-methylpiperidine
CID 4319000
5-(1,3-benzodioxol-5-yl)-N-isopropyl-3-isoxazolecarboxamide
CID 5052952
5-(1,3-benzodioxol-5-yl)-N-isobutylisoxazole-3-carboxamide
CID 15993269
5-(1,3-benzodioxol-5-yl)-N-butylisoxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-propylisoxazole-3-carboxamide
CID 16002469
1-[5-(2H-1,3-Benzodioxol-5-YL)-1,2-oxazole-3-carbonyl]-4-methylpiperidine
CID 16003877
5-(1,3-benzodioxol-5-yl)-N-[3-(diethylamino)propyl]isoxazole-3-carboxamide
CID 17252939

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 3242920) is 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LZIBMYOOOXZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-16(18-11-2-1-5-17-8-11)12-7-14(23-19-12)10-3-4-13-15(6-10)22-9-21-13/h1-8H,9H2,(H,18,20).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).