5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C22H30N8O2 — CID 70855974

IUPAC5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cc(-n2cnnn2)cnc1OCC[C@@H]1C[C@@H]1C1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C22H30N8O2/c1-14(2)20-25-22(32-26-20)29-7-4-16(5-8-29)19-11-17(19)6-9-31-21-15(3)10-18(12-23-21)30-13-24-27-28-30/h10,12-14,16-17,19H,4-9,11H2,1-3H3/t17-,19-/m1/s1
InChIKeyJBLRUMYHSGGBPQ-IEBWSBKVSA-N
MW438.54 g/mol
LogP3.19
Rot. Bonds8

About 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 70855974) has the molecular formula C22H30N8O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID70855974
Molecular FormulaC22H30N8O2
Molecular Weight438.54 g/mol
Exact Mass438.25
IUPAC Name5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cc(-n2cnnn2)cnc1OCC[C@@H]1C[C@@H]1C1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C22H30N8O2/c1-14(2)20-25-22(32-26-20)29-7-4-16(5-8-29)19-11-17(19)6-9-31-21-15(3)10-18(12-23-21)30-13-24-27-28-30/h10,12-14,16-17,19H,4-9,11H2,1-3H3/t17-,19-/m1/s1
InChIKeyJBLRUMYHSGGBPQ-IEBWSBKVSA-N
XLogP3.19
TPSA107.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(methoxymethyl)-5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 70855999
5-[4-[(1R,2R)-2-[2-[2-fluoro-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 118272595
1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one
CID 70856050
5-[4-[2-[2-[3-methoxy-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 77143427
1-(azetidin-1-yl)-2-[4-[2-[(1S)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 70856262
1-morpholin-4-yl-2-[4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 66563260
N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
CID 70856030
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide
CID 70856331
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 66563145
5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71474234
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 66563046
CID 87664540
CID 87664540

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 70855974) is 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cc(-n2cnnn2)cnc1OCC[C@@H]1C[C@@H]1C1CCN(c2nc(C(C)C)no2)CC1.
What is the InChIKey of 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JBLRUMYHSGGBPQ-IEBWSBKVSA-N. The full InChI is InChI=1S/C22H30N8O2/c1-14(2)20-25-22(32-26-20)29-7-4-16(5-8-29)19-11-17(19)6-9-31-21-15(3)10-18(12-23-21)30-13-24-27-28-30/h10,12-14,16-17,19H,4-9,11H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 438.54 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,2S)-2-[2-[[3-methyl-5-(tetrazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 70855974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).