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

C15H23N5O — CID 95350614

IUPAC5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(C[C@@H]2CCCN2[C@@H](C)c2nc(C)no2)n1
InChIInChI=1S/C15H23N5O/c1-10-8-11(2)20(17-10)9-14-6-5-7-19(14)12(3)15-16-13(4)18-21-15/h8,12,14H,5-7,9H2,1-4H3/t12-,14-/m0/s1
InChIKeyHYPKMJBELUIWPF-JSGCOSHPSA-N
MW289.38 g/mol
LogP2.42
Rot. Bonds4

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

5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95350614) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID95350614
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(C[C@@H]2CCCN2[C@@H](C)c2nc(C)no2)n1
InChIInChI=1S/C15H23N5O/c1-10-8-11(2)20(17-10)9-14-6-5-7-19(14)12(3)15-16-13(4)18-21-15/h8,12,14H,5-7,9H2,1-4H3/t12-,14-/m0/s1
InChIKeyHYPKMJBELUIWPF-JSGCOSHPSA-N
XLogP2.42
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95347728
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 95349314
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 129446607
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95606132
3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95308416
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160338
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605972
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 95350614) is 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1cc(C)n(C[C@@H]2CCCN2[C@@H](C)c2nc(C)no2)n1.
What is the InChIKey of 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HYPKMJBELUIWPF-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-8-11(2)20(17-10)9-14-6-5-7-19(14)12(3)15-16-13(4)18-21-15/h8,12,14H,5-7,9H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95350614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).