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

C16H13FN4O2 — CID 2996952

IUPAC1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESO=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13FN4O2/c17-12-6-8-13(9-7-12)19-16(22)18-10-14-20-15(21-23-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,22)
InChIKeyHACGVNHPAGYCOF-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.20
Rot. Bonds4

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

1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 2996952) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID2996952
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESO=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13FN4O2/c17-12-6-8-13(9-7-12)19-16(22)18-10-14-20-15(21-23-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,22)
InChIKeyHACGVNHPAGYCOF-UHFFFAOYSA-N
XLogP3.20
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 2996952) is 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is O=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is HACGVNHPAGYCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-12-6-8-13(9-7-12)19-16(22)18-10-14-20-15(21-23-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,22).
What are the key properties of 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 312.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 2996952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).