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

C9H7ClN2O — CID 684002

IUPAC3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyXLPRFGPYWXKAHH-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.70
Rot. Bonds1

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

3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 684002) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID684002
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C9H7ClN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyXLPRFGPYWXKAHH-UHFFFAOYSA-N
XLogP2.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
5-methyl-3-(1-oxidopyridin-1-ium-4-yl)-1,2,4-oxadiazole
CID 91619138
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]boronic acid
CID 142792272
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 166185984
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole (CID 684002) is 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is XLPRFGPYWXKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 194.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 684002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).