5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine

C13H10N4O3 — CID 79488548

IUPAC5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccon2)ccc2ncccc12
InChIInChI=1S/C13H10N4O3/c18-17(19)13-10-2-1-6-14-11(10)3-4-12(13)15-8-9-5-7-20-16-9/h1-7,15H,8H2
InChIKeyMXAISINXBGRFJR-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.74
Rot. Bonds4

About 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine

5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine (PubChem CID 79488548) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine
PubChem CID79488548
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCc2ccon2)ccc2ncccc12
InChIInChI=1S/C13H10N4O3/c18-17(19)13-10-2-1-6-14-11(10)3-4-12(13)15-8-9-5-7-20-16-9/h1-7,15H,8H2
InChIKeyMXAISINXBGRFJR-UHFFFAOYSA-N
XLogP2.74
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine (CID 79488548) is 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine is O=[N+]([O-])c1c(NCc2ccon2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine?
The InChIKey is MXAISINXBGRFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-17(19)13-10-2-1-6-14-11(10)3-4-12(13)15-8-9-5-7-20-16-9/h1-7,15H,8H2.
What are the key properties of 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine?
5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine has a molecular weight of 270.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine is sourced from PubChem (CID 79488548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).