(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone

C16H11ClN2O2 — CID 154721987

IUPAC(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCc1ccccc1-c1nc(C(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H11ClN2O2/c1-10-4-2-3-5-13(10)16-18-15(19-21-16)14(20)11-6-8-12(17)9-7-11/h2-9H,1H3
InChIKeyCWOQNFVFFMPQFG-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.93
Rot. Bonds3

About (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone

(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 154721987) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
PubChem CID154721987
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESCc1ccccc1-c1nc(C(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H11ClN2O2/c1-10-4-2-3-5-13(10)16-18-15(19-21-16)14(20)11-6-8-12(17)9-7-11/h2-9H,1H3
InChIKeyCWOQNFVFFMPQFG-UHFFFAOYSA-N
XLogP3.93
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 2056784
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 741929
3-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 2803952
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 665849
5-(4-Chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 745721
3-Benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 747211
3-(4-Chlorophenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
CID 752282
5-(4-Chlorophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 803886
3-(2-Chlorobenzyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 874773

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 154721987) is (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone is Cc1ccccc1-c1nc(C(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The InChIKey is CWOQNFVFFMPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-10-4-2-3-5-13(10)16-18-15(19-21-16)14(20)11-6-8-12(17)9-7-11/h2-9H,1H3.
What are the key properties of (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone?
(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 298.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 154721987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).