1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one

C10H9N3O4 — CID 27041288

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one
SMILESCc1cc(Cn2cc([N+](=O)[O-])ccc2=O)no1
InChIInChI=1S/C10H9N3O4/c1-7-4-8(11-17-7)5-12-6-9(13(15)16)2-3-10(12)14/h2-4,6H,5H2,1H3
InChIKeyXJGYSWBIWWOWPZ-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.10
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one (PubChem CID 27041288) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one
PubChem CID27041288
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one
SMILESCc1cc(Cn2cc([N+](=O)[O-])ccc2=O)no1
InChIInChI=1S/C10H9N3O4/c1-7-4-8(11-17-7)5-12-6-9(13(15)16)2-3-10(12)14/h2-4,6H,5H2,1H3
InChIKeyXJGYSWBIWWOWPZ-UHFFFAOYSA-N
XLogP1.10
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one (CID 27041288) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one is Cc1cc(Cn2cc([N+](=O)[O-])ccc2=O)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one?
The InChIKey is XJGYSWBIWWOWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-7-4-8(11-17-7)5-12-6-9(13(15)16)2-3-10(12)14/h2-4,6H,5H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one is sourced from PubChem (CID 27041288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).