3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole

C21H15ClN2O — CID 2259107

IUPAC3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2O/c22-19-12-6-15(7-13-19)14-20-23-21(25-24-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyJWNLJTVZTQVWFS-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.65
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole

3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 2259107) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
PubChem CID2259107
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2O/c22-19-12-6-15(7-13-19)14-20-23-21(25-24-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyJWNLJTVZTQVWFS-UHFFFAOYSA-N
XLogP5.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206
[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
CID 56885878
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-fluoroaniline
CID 63188232
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81498941
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
CID 55746494
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 55115296
3-[[(R)-[(1R)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 97236376

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole (CID 2259107) is 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole is Clc1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is JWNLJTVZTQVWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-19-12-6-15(7-13-19)14-20-23-21(25-24-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole?
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 346.82 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2259107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).