3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole

C17H25N5O2 — CID 98767460

IUPAC3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1c([C@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)c(C)nn1C
InChIInChI=1S/C17H25N5O2/c1-10-14(17(23-4)21(3)19-10)13-6-5-9-22(13)11(2)16-18-15(20-24-16)12-7-8-12/h11-13H,5-9H2,1-4H3/t11-,13-/m1/s1
InChIKeySVELAWPUZMRNFJ-DGCLKSJQSA-N
MW331.42 g/mol
LogP2.90
Rot. Bonds5

About 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 98767460) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID98767460
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1c([C@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)c(C)nn1C
InChIInChI=1S/C17H25N5O2/c1-10-14(17(23-4)21(3)19-10)13-6-5-9-22(13)11(2)16-18-15(20-24-16)12-7-8-12/h11-13H,5-9H2,1-4H3/t11-,13-/m1/s1
InChIKeySVELAWPUZMRNFJ-DGCLKSJQSA-N
XLogP2.90
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 98767444
(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95750877
2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 95751032
3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95308416
5-methoxy-1,3-dimethyl-4-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]pyrazole
CID 129461187
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
5-methoxy-4-[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-1,3-dimethylpyrazole
CID 95750913
3-cyclopropyl-5-[(1S)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95609984
3-cyclopropyl-5-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 129461569
2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490235

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 98767460) is 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is COc1c([C@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)c(C)nn1C.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is SVELAWPUZMRNFJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-14(17(23-4)21(3)19-10)13-6-5-9-22(13)11(2)16-18-15(20-24-16)12-7-8-12/h11-13H,5-9H2,1-4H3/t11-,13-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 98767460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).