1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

C20H15FN4O2S — CID 71800650

IUPAC1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESO=C(Nc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C20H15FN4O2S/c21-14-7-2-4-9-16(14)23-20(26)22-15-8-3-1-6-13(15)12-18-24-19(25-27-18)17-10-5-11-28-17/h1-11H,12H2,(H2,22,23,26)
InChIKeyIVEWRPWZRNBCMC-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.17
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 71800650) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
PubChem CID71800650
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESO=C(Nc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C20H15FN4O2S/c21-14-7-2-4-9-16(14)23-20(26)22-15-8-3-1-6-13(15)12-18-24-19(25-27-18)17-10-5-11-28-17/h1-11H,12H2,(H2,22,23,26)
InChIKeyIVEWRPWZRNBCMC-UHFFFAOYSA-N
XLogP5.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 71800650) is 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is O=C(Nc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The InChIKey is IVEWRPWZRNBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-14-7-2-4-9-16(14)23-20(26)22-15-8-3-1-6-13(15)12-18-24-19(25-27-18)17-10-5-11-28-17/h1-11H,12H2,(H2,22,23,26).
What are the key properties of 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 394.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 71800650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).