N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide — IUPAC name, SMILES, InChIKey & properties

Name: N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide

N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide (PubChem CID 158998744) has the molecular formula C71H51F5N18O13 and a molecular weight of 1459.29 g/mol. Its IUPAC name is N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide.

Molecular Properties

Compound Name	N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide
PubChem CID	158998744
Molecular Formula	C71H51F5N18O13
Molecular Weight	1459.29 g/mol
Exact Mass	1458.38
IUPAC Name	N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide
SMILES	CONC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.NC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ncccn1.O=C(NCCF)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChI	InChI=1S/C20H13FN6O3.C18H14F2N4O3.C17H13FN4O4.C16H11FN4O3/c21-15-8-2-1-7-14(15)18-24-16(27-30-18)12-5-3-6-13(11-12)17(28)25-20(29)26-19-22-9-4-10-23-19;19-8-9-21-18(26)23-16(25)12-5-3-4-11(10-12)15-22-17(27-24-15)13-6-1-2-7-14(13)20;1-25-22-17(24)20-15(23)11-6-4-5-10(9-11)14-19-16(26-21-14)12-7-2-3-8-13(12)18;17-12-7-2-1-6-11(12)15-19-13(21-24-15)9-4-3-5-10(8-9)14(22)20-16(18)23/h1-11H,(H2,22,23,25,26,28,29);1-7,10H,8-9H2,(H2,21,23,25,26);2-9H,1H3,(H2,20,22,23,24);1-8H,(H3,18,20,22,23)
InChIKey	JRBQYMNSWXIXHH-UHFFFAOYSA-N
XLogP	11.14
TPSA	437.48 Å²
H-Bond Donors	8
H-Bond Acceptors	23
Rotatable Bonds	16
Heavy Atoms	107
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1459.29
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide?

The IUPAC name of N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide (CID 158998744) is N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide.

What is the SMILES notation for N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide?

The canonical SMILES for N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide is CONC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.NC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ncccn1.O=C(NCCF)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.

What is the InChIKey of N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide?

The InChIKey is JRBQYMNSWXIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O3.C18H14F2N4O3.C17H13FN4O4.C16H11FN4O3/c21-15-8-2-1-7-14(15)18-24-16(27-30-18)12-5-3-6-13(11-12)17(28)25-20(29)26-19-22-9-4-10-23-19;19-8-9-21-18(26)23-16(25)12-5-3-4-11(10-12)15-22-17(27-24-15)13-6-1-2-7-14(13)20;1-25-22-17(24)20-15(23)11-6-4-5-10(9-11)14-19-16(26-21-14)12-7-2-3-8-13(12)18;17-12-7-2-1-6-11(12)15-19-13(21-24-15)9-4-3-5-10(8-9)14(22)20-16(18)23/h1-11H,(H2,22,23,25,26,28,29);1-7,10H,8-9H2,(H2,21,23,25,26);2-9H,1H3,(H2,20,22,23,24);1-8H,(H3,18,20,22,23).

What are the key properties of N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide?

Where does this data come from?

All data for N-carbamoyl-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;N-(2-fluoroethylcarbamoyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(methoxycarbamoyl)benzamide;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(pyrimidin-2-ylcarbamoyl)benzamide is sourced from PubChem (CID 158998744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).