1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea

C22H14ClF3N4O3 — CID 135797229

IUPAC1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1noc(=O)[nH]1
InChIInChI=1S/C22H14ClF3N4O3/c23-16-3-1-2-4-18(16)28-20(31)27-17-10-7-13(11-15(17)19-29-21(32)33-30-19)12-5-8-14(9-6-12)22(24,25)26/h1-11H,(H2,27,28,31)(H,29,30,32)
InChIKeyGKRVZUCTNFGHCC-UHFFFAOYSA-N
MW474.83 g/mol
LogP6.01
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea

1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea (PubChem CID 135797229) has the molecular formula C22H14ClF3N4O3 and a molecular weight of 474.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea
PubChem CID135797229
Molecular FormulaC22H14ClF3N4O3
Molecular Weight474.83 g/mol
Exact Mass474.07
IUPAC Name1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1noc(=O)[nH]1
InChIInChI=1S/C22H14ClF3N4O3/c23-16-3-1-2-4-18(16)28-20(31)27-17-10-7-13(11-15(17)19-29-21(32)33-30-19)12-5-8-14(9-6-12)22(24,25)26/h1-11H,(H2,27,28,31)(H,29,30,32)
InChIKeyGKRVZUCTNFGHCC-UHFFFAOYSA-N
XLogP6.01
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.83
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-[2-(1H-tetrazol-1-ium-5-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea
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CID 22011313
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
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CID 136629682
3-[2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]sulfinyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136634602
[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11716321
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
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CID 167678075
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290
1-(4-carbamothioylphenyl)-3-[2-chloro-4-(trifluoromethyl)phenyl]urea
CID 66553555
1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea (CID 135797229) is 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea is O=C(Nc1ccccc1Cl)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1noc(=O)[nH]1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The InChIKey is GKRVZUCTNFGHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N4O3/c23-16-3-1-2-4-18(16)28-20(31)27-17-10-7-13(11-15(17)19-29-21(32)33-30-19)12-5-8-14(9-6-12)22(24,25)26/h1-11H,(H2,27,28,31)(H,29,30,32).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea has a molecular weight of 474.83 g/mol, XLogP of 6.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]urea is sourced from PubChem (CID 135797229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).