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

C22H28FN7O2 — CID 118272595

IUPAC5-[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
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@@H]3CCOc3ccc(-n4cnnn4)cc3F)CC2)n1
InChIInChI=1S/C22H28FN7O2/c1-14(2)21-25-22(32-26-21)29-8-5-15(6-9-29)18-11-16(18)7-10-31-20-4-3-17(12-19(20)23)30-13-24-27-28-30/h3-4,12-16,18H,5-11H2,1-2H3/t16-,18+/m0/s1
InChIKeyIUWIRVKNOWCORU-FUHWJXTLSA-N
MW441.51 g/mol
LogP3.63
Rot. Bonds8

About 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

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 (PubChem CID 118272595) has the molecular formula C22H28FN7O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID118272595
Molecular FormulaC22H28FN7O2
Molecular Weight441.51 g/mol
Exact Mass441.23
IUPAC Name5-[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
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@@H]3CCOc3ccc(-n4cnnn4)cc3F)CC2)n1
InChIInChI=1S/C22H28FN7O2/c1-14(2)21-25-22(32-26-21)29-8-5-15(6-9-29)18-11-16(18)7-10-31-20-4-3-17(12-19(20)23)30-13-24-27-28-30/h3-4,12-16,18H,5-11H2,1-2H3/t16-,18+/m0/s1
InChIKeyIUWIRVKNOWCORU-FUHWJXTLSA-N
XLogP3.63
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc(N2CCC([C@H]3C[C@@H]3CCOc3ccc(-n4cnnn4)cc3F)CC2)n1.
What is the InChIKey of 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?
The InChIKey is IUWIRVKNOWCORU-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H28FN7O2/c1-14(2)21-25-22(32-26-21)29-8-5-15(6-9-29)18-11-16(18)7-10-31-20-4-3-17(12-19(20)23)30-13-24-27-28-30/h3-4,12-16,18H,5-11H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 441.51 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118272595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).