N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

C9H9N3O2 — CID 73051105

IUPACN-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)C1=NOCC1
InChIInChI=1S/C9H9N3O2/c13-9(8-3-5-14-12-8)11-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,11,13)
InChIKeyVYXWEQNTZOAYDV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.80
Rot. Bonds2

About N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 73051105) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID73051105
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC NameN-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)C1=NOCC1
InChIInChI=1S/C9H9N3O2/c13-9(8-3-5-14-12-8)11-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,11,13)
InChIKeyVYXWEQNTZOAYDV-UHFFFAOYSA-N
XLogP0.80
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
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2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
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3,5-dichloro-N-pyridin-3-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 73051105) is N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1)C1=NOCC1.
What is the InChIKey of N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is VYXWEQNTZOAYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9(8-3-5-14-12-8)11-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,11,13).
What are the key properties of N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 73051105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).