4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

C24H18ClFN4O — CID 164626294

IUPAC4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESFc1ccccc1-c1ccc(C2=NC(Cn3cncn3)(c3cccc(Cl)c3)CO2)cc1
InChIInChI=1S/C24H18ClFN4O/c25-20-5-3-4-19(12-20)24(13-30-16-27-15-28-30)14-31-23(29-24)18-10-8-17(9-11-18)21-6-1-2-7-22(21)26/h1-12,15-16H,13-14H2
InChIKeyHTCASYYMWFSWDT-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.11
Rot. Bonds5

About 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (PubChem CID 164626294) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
PubChem CID164626294
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC Name4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESFc1ccccc1-c1ccc(C2=NC(Cn3cncn3)(c3cccc(Cl)c3)CO2)cc1
InChIInChI=1S/C24H18ClFN4O/c25-20-5-3-4-19(12-20)24(13-30-16-27-15-28-30)14-31-23(29-24)18-10-8-17(9-11-18)21-6-1-2-7-22(21)26/h1-12,15-16H,13-14H2
InChIKeyHTCASYYMWFSWDT-UHFFFAOYSA-N
XLogP5.11
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenyl)-2-[4-(3-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672468
2-(6-chloro-1-benzothiophen-2-yl)-4-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672439
2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672458
1-[[(4S,5R)-5-(2,4-dichlorophenyl)-4-phenyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 3007670
1-[[3-(4-chlorophenyl)-2-phenyloxiran-2-yl]methyl]-1,2,4-triazole
CID 13232416
4,5-bis(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
CID 13422749
1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 162512057
1-[[2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
CID 87405820
1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 20525182
1-[[2-(4-chlorophenyl)-4,4-dimethyloxolan-2-yl]methyl]-1,2,4-triazole
CID 13235855
1-[[1-(4-chlorophenyl)-3H-2-benzofuran-1-yl]methyl]-1,2,4-triazole;hydrochloride
CID 10472909
1-[(2-phenyl-1,3-dioxol-2-yl)methyl]-1,2,4-triazole
CID 156783536

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The IUPAC name of 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (CID 164626294) is 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is Fc1ccccc1-c1ccc(C2=NC(Cn3cncn3)(c3cccc(Cl)c3)CO2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The InChIKey is HTCASYYMWFSWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c25-20-5-3-4-19(12-20)24(13-30-16-27-15-28-30)14-31-23(29-24)18-10-8-17(9-11-18)21-6-1-2-7-22(21)26/h1-12,15-16H,13-14H2.
What are the key properties of 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole has a molecular weight of 432.89 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is sourced from PubChem (CID 164626294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).