5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

C15H15ClN4O — CID 19324521

IUPAC5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(CCc2nc(-c3ccccc3)no2)c(C)c1Cl
InChIInChI=1S/C15H15ClN4O/c1-10-14(16)11(2)20(18-10)9-8-13-17-15(19-21-13)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyIADQOMCJNAXNSJ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.45
Rot. Bonds4

About 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324521) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324521
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(CCc2nc(-c3ccccc3)no2)c(C)c1Cl
InChIInChI=1S/C15H15ClN4O/c1-10-14(16)11(2)20(18-10)9-8-13-17-15(19-21-13)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyIADQOMCJNAXNSJ-UHFFFAOYSA-N
XLogP3.45
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324613
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332620
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 136529623
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326638
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
5-[(3-methylpyrazol-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 19324446
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 95883023

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (CID 19324521) is 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is Cc1nn(CCc2nc(-c3ccccc3)no2)c(C)c1Cl.
What is the InChIKey of 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is IADQOMCJNAXNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-10-14(16)11(2)20(18-10)9-8-13-17-15(19-21-13)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 302.76 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).