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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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50994137
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenylamine
CID 752359
N-(3,5-dichlorophenyl)-N'-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)urea
CID 2810028
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3225915
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3242385
N-(4-fluorophenyl)-N'-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
CID 6459544
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methylphenyl)piperazine
CID 16190640
2-(3-acetamido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 44275012
N-(3-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
CID 45106971
N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
CID 53299044
3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 71694581

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).