1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one

C11H10N4O4 — CID 60564994

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one
SMILESO=c1ccc([N+](=O)[O-])cn1Cc1noc(C2CC2)n1
InChIInChI=1S/C11H10N4O4/c16-10-4-3-8(15(17)18)5-14(10)6-9-12-11(19-13-9)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyJMTRLQCPAHBRNS-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.07
Rot. Bonds4

About 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one (PubChem CID 60564994) has the molecular formula C11H10N4O4 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one
PubChem CID60564994
Molecular FormulaC11H10N4O4
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one
SMILESO=c1ccc([N+](=O)[O-])cn1Cc1noc(C2CC2)n1
InChIInChI=1S/C11H10N4O4/c16-10-4-3-8(15(17)18)5-14(10)6-9-12-11(19-13-9)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyJMTRLQCPAHBRNS-UHFFFAOYSA-N
XLogP1.07
TPSA104.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.07
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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Related Compounds

1-[[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 40021231
1-[(5-Propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 53537483
5-Bromo-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 53601116
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-dihydropyridin-2-one
CID 95179448
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72847067
5-Fluoro-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 99831533
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-1,6-dihydropyridine-2-carboxamide
CID 50961818
4-[[3-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 72122911
1-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridin-2-one
CID 31435230
5-Nitro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 36588904
1-[[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitropyridin-2-one
CID 38896520
1-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one
CID 38896567

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one (CID 60564994) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one is O=c1ccc([N+](=O)[O-])cn1Cc1noc(C2CC2)n1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one?
The InChIKey is JMTRLQCPAHBRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c16-10-4-3-8(15(17)18)5-14(10)6-9-12-11(19-13-9)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one has a molecular weight of 262.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one is sourced from PubChem (CID 60564994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).