5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

C14H10FN3O2S — CID 83278326

IUPAC5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H10FN3O2S/c15-10-5-3-9(4-6-10)14-17-12(18-20-14)13(19)16-8-11-2-1-7-21-11/h1-7H,8H2,(H,16,19)
InChIKeyWENNVGICXRPZCI-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.87
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83278326) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID83278326
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H10FN3O2S/c15-10-5-3-9(4-6-10)14-17-12(18-20-14)13(19)16-8-11-2-1-7-21-11/h1-7H,8H2,(H,16,19)
InChIKeyWENNVGICXRPZCI-UHFFFAOYSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tioxazafen
CID 695679
N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50925386
1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994060
N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50994142
5-(4-Fluorophenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718718
4-(5-Phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 155540596
N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
3-(4-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 784811
3-(2-Methylphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 878991
3-Phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazole
CID 2740144
5-(4-Propylphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 2742670
7-Phenyl-1-(5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951158

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (CID 83278326) is 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is O=C(NCc1cccs1)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WENNVGICXRPZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-10-5-3-9(4-6-10)14-17-12(18-20-14)13(19)16-8-11-2-1-7-21-11/h1-7H,8H2,(H,16,19).
What are the key properties of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83278326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).