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

C22H16ClFN4O2 — CID 92750553

IUPAC1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H16ClFN4O2/c23-16-8-12-18(13-9-16)25-22(29)26-19(14-6-10-17(24)11-7-14)21-28-27-20(30-21)15-4-2-1-3-5-15/h1-13,19H,(H2,25,26,29)/t19-/m1/s1
InChIKeyVVFIISYZUCWGBW-LJQANCHMSA-N
MW422.85 g/mol
LogP5.44
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 92750553) has the molecular formula C22H16ClFN4O2 and a molecular weight of 422.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID92750553
Molecular FormulaC22H16ClFN4O2
Molecular Weight422.85 g/mol
Exact Mass422.09
IUPAC Name1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H16ClFN4O2/c23-16-8-12-18(13-9-16)25-22(29)26-19(14-6-10-17(24)11-7-14)21-28-27-20(30-21)15-4-2-1-3-5-15/h1-13,19H,(H2,25,26,29)/t19-/m1/s1
InChIKeyVVFIISYZUCWGBW-LJQANCHMSA-N
XLogP5.44
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.85
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 22432811
1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 28814790
2,6-difluoro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345862
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethylphenyl)urea
CID 92891976
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
CID 26791796
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-methylphenyl)urea
CID 20960287
1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
CID 26791772
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 92656819
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 92873818
1-(3,4-dimethoxyphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92710998

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 92750553) is 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is VVFIISYZUCWGBW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H16ClFN4O2/c23-16-8-12-18(13-9-16)25-22(29)26-19(14-6-10-17(24)11-7-14)21-28-27-20(30-21)15-4-2-1-3-5-15/h1-13,19H,(H2,25,26,29)/t19-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 422.85 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 92750553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).