2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide

C23H16FN3O4 — CID 52730959

IUPAC2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H16FN3O4/c1-14-19(11-6-12-20(14)27(29)30)26-22(28)15-7-2-3-8-16(15)23-25-13-21(31-23)17-9-4-5-10-18(17)24/h2-13H,1H3,(H,26,28)
InChIKeyKYZHYWHYIQXRCB-UHFFFAOYSA-N
MW417.40 g/mol
LogP5.62
Rot. Bonds5

About 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 52730959) has the molecular formula C23H16FN3O4 and a molecular weight of 417.40 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID52730959
Molecular FormulaC23H16FN3O4
Molecular Weight417.40 g/mol
Exact Mass417.11
IUPAC Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H16FN3O4/c1-14-19(11-6-12-20(14)27(29)30)26-22(28)15-7-2-3-8-16(15)23-25-13-21(31-23)17-9-4-5-10-18(17)24/h2-13H,1H3,(H,26,28)
InChIKeyKYZHYWHYIQXRCB-UHFFFAOYSA-N
XLogP5.62
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.40
LogP ≤ 55.62
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-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 100510182
N-(2-fluoro-4-methylphenyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 55554036
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N'-(2-hydroxybenzoyl)benzohydrazide
CID 36762830
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 36809766
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 36744321
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide (CID 52730959) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is KYZHYWHYIQXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O4/c1-14-19(11-6-12-20(14)27(29)30)26-22(28)15-7-2-3-8-16(15)23-25-13-21(31-23)17-9-4-5-10-18(17)24/h2-13H,1H3,(H,26,28).
What are the key properties of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide?
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 417.40 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 52730959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).