2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide

C13H12FN3O4 — CID 103297316

IUPAC2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide
SMILESCc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)on1
InChIInChI=1S/C13H12FN3O4/c1-7-3-9(17(19)20)5-11(12(7)14)13(18)15-6-10-4-8(2)16-21-10/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyPISJZZUPUDZXLC-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.27
Rot. Bonds4

About 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide

2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide (PubChem CID 103297316) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide
PubChem CID103297316
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide
SMILESCc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)on1
InChIInChI=1S/C13H12FN3O4/c1-7-3-9(17(19)20)5-11(12(7)14)13(18)15-6-10-4-8(2)16-21-10/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyPISJZZUPUDZXLC-UHFFFAOYSA-N
XLogP2.27
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-fluoro-3-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106396090
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 80718180
5-amino-4-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 62185312
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 103297088
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
2-fluoro-3-methyl-5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103297192
N-(2-cyanoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297255
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
2-fluoro-N-(4-methoxybutyl)-3-methyl-5-nitrobenzamide
CID 103297310
N-[3-(cyclopropylamino)propyl]-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297688
2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-3-methyl-5-nitrobenzamide
CID 103297778

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide (CID 103297316) is 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide is Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)on1.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide?
The InChIKey is PISJZZUPUDZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c1-7-3-9(17(19)20)5-11(12(7)14)13(18)15-6-10-4-8(2)16-21-10/h3-5H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide?
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide has a molecular weight of 293.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 103297316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).