5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole

C8H8ClN3O — CID 80646470

IUPAC5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(Cl)on2)cnn1C
InChIInChI=1S/C8H8ClN3O/c1-5-6(4-10-12(5)2)7-3-8(9)13-11-7/h3-4H,1-2H3
InChIKeyMRUVDOBZVJASKZ-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.04
Rot. Bonds1

About 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole

5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole (PubChem CID 80646470) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
PubChem CID80646470
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(Cl)on2)cnn1C
InChIInChI=1S/C8H8ClN3O/c1-5-6(4-10-12(5)2)7-3-8(9)13-11-7/h3-4H,1-2H3
InChIKeyMRUVDOBZVJASKZ-UHFFFAOYSA-N
XLogP2.04
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole (CID 80646470) is 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole is Cc1c(-c2cc(Cl)on2)cnn1C.
What is the InChIKey of 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is MRUVDOBZVJASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-5-6(4-10-12(5)2)7-3-8(9)13-11-7/h3-4H,1-2H3.
What are the key properties of 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 197.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 80646470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).