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

C14H20N6O — CID 95308416

IUPAC3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C14H20N6O/c1-10(14-17-13(18-21-14)11-4-5-11)20-6-2-3-12(20)7-19-9-15-8-16-19/h8-12H,2-7H2,1H3/t10-,12-/m1/s1
InChIKeyCWFSIMMKDLUNGB-ZYHUDNBSSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds5

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

3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95308416) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95308416
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C14H20N6O/c1-10(14-17-13(18-21-14)11-4-5-11)20-6-2-3-12(20)7-19-9-15-8-16-19/h8-12H,2-7H2,1H3/t10-,12-/m1/s1
InChIKeyCWFSIMMKDLUNGB-ZYHUDNBSSA-N
XLogP1.76
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-5-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 129461569
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-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95342388
3-phenyl-5-[(1S)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95315336
(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352438
(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352439
3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine
CID 129461551
3-cyclopropyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95308426
2-(4-methylphenyl)-5-[(1S)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 129461548
2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490235
3-methyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95347728
3-propyl-5-[(1R)-1-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100841318

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95308416) is 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H]1Cn1cncn1.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CWFSIMMKDLUNGB-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(14-17-13(18-21-14)11-4-5-11)20-6-2-3-12(20)7-19-9-15-8-16-19/h8-12H,2-7H2,1H3/t10-,12-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.76, 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-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95308416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).