N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide

C20H14FN3O2S — CID 53163764

IUPACN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H14FN3O2S/c1-12-4-2-3-5-15(12)19(25)22-16-10-11-27-17(16)20-23-18(24-26-20)13-6-8-14(21)9-7-13/h2-11H,1H3,(H,22,25)
InChIKeyAZIMGHUWGBDELG-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.16
Rot. Bonds4

About N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide (PubChem CID 53163764) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
PubChem CID53163764
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC NameN-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H14FN3O2S/c1-12-4-2-3-5-15(12)19(25)22-16-10-11-27-17(16)20-23-18(24-26-20)13-6-8-14(21)9-7-13/h2-11H,1H3,(H,22,25)
InChIKeyAZIMGHUWGBDELG-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 53163789
4-fluoro-N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163882
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 53163758
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 53163828
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
CID 53163830
N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3770450
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536
N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 95100433

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide (CID 53163764) is N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide?
The InChIKey is AZIMGHUWGBDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-4-2-3-5-15(12)19(25)22-16-10-11-27-17(16)20-23-18(24-26-20)13-6-8-14(21)9-7-13/h2-11H,1H3,(H,22,25).
What are the key properties of N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide?
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide is sourced from PubChem (CID 53163764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).