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

C22H16ClFN4O2 — CID 28997128

IUPAC1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H16ClFN4O2/c23-16-11-5-4-10-15(16)20-27-28-21(30-20)19(14-8-2-1-3-9-14)26-22(29)25-18-13-7-6-12-17(18)24/h1-13,19H,(H2,25,26,29)/t19-/m1/s1
InChIKeySBESHNRUMWOLKF-LJQANCHMSA-N
MW422.85 g/mol
LogP5.44
Rot. Bonds5

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

1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea (PubChem CID 28997128) has the molecular formula C22H16ClFN4O2 and a molecular weight of 422.85 g/mol. Its IUPAC name is 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea
PubChem CID28997128
Molecular FormulaC22H16ClFN4O2
Molecular Weight422.85 g/mol
Exact Mass422.09
IUPAC Name1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H16ClFN4O2/c23-16-11-5-4-10-15(16)20-27-28-21(30-20)19(14-8-2-1-3-9-14)26-22(29)25-18-13-7-6-12-17(18)24/h1-13,19H,(H2,25,26,29)/t19-/m1/s1
InChIKeySBESHNRUMWOLKF-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

1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-methoxyphenyl)urea
CID 41143360
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 20960259
1-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 28914854
1-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-cyclohexylurea
CID 41143362
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
N-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 28886205
1-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 92711015
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethylphenyl)urea
CID 92891976
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2,5-dimethoxyphenyl)urea
CID 17252106

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea (CID 28997128) is 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea?
The InChIKey is SBESHNRUMWOLKF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H16ClFN4O2/c23-16-11-5-4-10-15(16)20-27-28-21(30-20)19(14-8-2-1-3-9-14)26-22(29)25-18-13-7-6-12-17(18)24/h1-13,19H,(H2,25,26,29)/t19-/m1/s1.
What are the key properties of 1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea?
1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)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-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 28997128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).