5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one

C11H12N4O4 — CID 36588904

IUPAC5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCCCc1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1
InChIInChI=1S/C11H12N4O4/c1-2-3-9-12-10(19-13-9)7-14-6-8(15(17)18)4-5-11(14)16/h4-6H,2-3,7H2,1H3
InChIKeyZWNXUMQRTGMKMC-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.14
Rot. Bonds5

About 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one

5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (PubChem CID 36588904) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
PubChem CID36588904
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCCCc1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1
InChIInChI=1S/C11H12N4O4/c1-2-3-9-12-10(19-13-9)7-14-6-8(15(17)18)4-5-11(14)16/h4-6H,2-3,7H2,1H3
InChIKeyZWNXUMQRTGMKMC-UHFFFAOYSA-N
XLogP1.14
TPSA104.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (CID 36588904) is 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is CCCc1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1.
What is the InChIKey of 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The InChIKey is ZWNXUMQRTGMKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-2-3-9-12-10(19-13-9)7-14-6-8(15(17)18)4-5-11(14)16/h4-6H,2-3,7H2,1H3.
What are the key properties of 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one has a molecular weight of 264.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 36588904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).