N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide

C16H13FN3O4+ — CID 53289599

IUPACN-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
SMILESCOc1ccc(-[n+]2[nH]oc(=O)c2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H12FN3O4/c1-23-11-8-6-10(7-9-11)20-14(16(22)24-19-20)15(21)18-13-5-3-2-4-12(13)17/h2-9H,1H3,(H-,18,19,21,22)/p+1
InChIKeyAVEMMAXSADEFKM-UHFFFAOYSA-O
MW330.30 g/mol
LogP1.64
Rot. Bonds4

About N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide

N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide (PubChem CID 53289599) has the molecular formula C16H13FN3O4+ and a molecular weight of 330.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
PubChem CID53289599
Molecular FormulaC16H13FN3O4+
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC NameN-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
SMILESCOc1ccc(-[n+]2[nH]oc(=O)c2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H12FN3O4/c1-23-11-8-6-10(7-9-11)20-14(16(22)24-19-20)15(21)18-13-5-3-2-4-12(13)17/h2-9H,1H3,(H-,18,19,21,22)/p+1
InChIKeyAVEMMAXSADEFKM-UHFFFAOYSA-O
XLogP1.64
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
CID 53289563
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
N-(4-methoxyphenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
CID 53290366
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
N-(3-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 113340885
4-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 53290180
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-(2-fluorophenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]butanamide
CID 53293220
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]sulfanyl]propanamide
CID 53292738
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide (CID 53289599) is N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide is COc1ccc(-[n+]2[nH]oc(=O)c2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
The InChIKey is AVEMMAXSADEFKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12FN3O4/c1-23-11-8-6-10(7-9-11)20-14(16(22)24-19-20)15(21)18-13-5-3-2-4-12(13)17/h2-9H,1H3,(H-,18,19,21,22)/p+1.
What are the key properties of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide has a molecular weight of 330.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide is sourced from PubChem (CID 53289599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).