5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C11H13ClN4O2 — CID 97453309

IUPAC5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(-c2nc([C@H]3CCOC3)no2)c1Cl
InChIInChI=1S/C11H13ClN4O2/c1-6-8(12)9(16(2)14-6)11-13-10(15-18-11)7-3-4-17-5-7/h7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyLZTGFLLJDBEKLU-ZETCQYMHSA-N
MW268.70 g/mol
LogP1.94
Rot. Bonds2

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

5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97453309) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97453309
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(-c2nc([C@H]3CCOC3)no2)c1Cl
InChIInChI=1S/C11H13ClN4O2/c1-6-8(12)9(16(2)14-6)11-13-10(15-18-11)7-3-4-17-5-7/h7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyLZTGFLLJDBEKLU-ZETCQYMHSA-N
XLogP1.94
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97453309) is 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Cc1nn(C)c(-c2nc([C@H]3CCOC3)no2)c1Cl.
What is the InChIKey of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is LZTGFLLJDBEKLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-6-8(12)9(16(2)14-6)11-13-10(15-18-11)7-3-4-17-5-7/h7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 268.70 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97453309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).