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

C13H18N4O2 — CID 129380278

IUPAC5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)n([C@@H](C)c2nc([C@H]3CCOC3)no2)n1
InChIInChI=1S/C13H18N4O2/c1-8-6-9(2)17(15-8)10(3)13-14-12(16-19-13)11-4-5-18-7-11/h6,10-11H,4-5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyCIBSEOKIOIMULJ-QWRGUYRKSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds3

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

5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 129380278) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID129380278
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)n([C@@H](C)c2nc([C@H]3CCOC3)no2)n1
InChIInChI=1S/C13H18N4O2/c1-8-6-9(2)17(15-8)10(3)13-14-12(16-19-13)11-4-5-18-7-11/h6,10-11H,4-5,7H2,1-3H3/t10-,11-/m0/s1
InChIKeyCIBSEOKIOIMULJ-QWRGUYRKSA-N
XLogP2.00
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958667
3-(oxolan-3-yl)-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole
CID 119163367
3-[(3S)-oxolan-3-yl]-5-[(1S)-1-thiophen-3-ylethyl]-1,2,4-oxadiazole
CID 129380313
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859773
3-[(3R)-oxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,2,4-oxadiazole
CID 129380265
3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 65331884
4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 65329235
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 65329237
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81085041
ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 129380278) is 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Cc1cc(C)n([C@@H](C)c2nc([C@H]3CCOC3)no2)n1.
What is the InChIKey of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is CIBSEOKIOIMULJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-6-9(2)17(15-8)10(3)13-14-12(16-19-13)11-4-5-18-7-11/h6,10-11H,4-5,7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129380278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).