5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

C6H5ClN4O — CID 65197715

IUPAC5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(Cl)n2)n1
InChIInChI=1S/C6H5ClN4O/c1-11-3-2-4(9-11)5-8-6(7)12-10-5/h2-3H,1H3
InChIKeyAADRIOMXNKDULU-UHFFFAOYSA-N
MW184.59 g/mol
LogP1.12
Rot. Bonds1

About 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 65197715) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID65197715
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(Cl)n2)n1
InChIInChI=1S/C6H5ClN4O/c1-11-3-2-4(9-11)5-8-6(7)12-10-5/h2-3H,1H3
InChIKeyAADRIOMXNKDULU-UHFFFAOYSA-N
XLogP1.12
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65197551
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915767
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65197757
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65198120
methyl 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474846
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65199728
1,1,1-trifluoro-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65198328
1,1-difluoro-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65197647
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 65197715) is 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cn1ccc(-c2noc(Cl)n2)n1.
What is the InChIKey of 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is AADRIOMXNKDULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-11-3-2-4(9-11)5-8-6(7)12-10-5/h2-3H,1H3.
What are the key properties of 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 184.59 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65197715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).