5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

C21H26FN7O3 — CID 71474234

IUPAC5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(-n4cnnn4)cc3F)CC2)n1
InChIInChI=1S/C21H26FN7O3/c1-30-12-20-24-21(32-25-20)28-6-4-14(5-7-28)18-8-16(18)11-31-10-15-2-3-17(9-19(15)22)29-13-23-26-27-29/h2-3,9,13-14,16,18H,4-8,10-12H2,1H3/t16-,18+/m0/s1
InChIKeyFLXNLCQVRCJKIX-FUHWJXTLSA-N
MW443.48 g/mol
LogP2.40
Rot. Bonds9

About 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 71474234) has the molecular formula C21H26FN7O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID71474234
Molecular FormulaC21H26FN7O3
Molecular Weight443.48 g/mol
Exact Mass443.21
IUPAC Name5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(-n4cnnn4)cc3F)CC2)n1
InChIInChI=1S/C21H26FN7O3/c1-30-12-20-24-21(32-25-20)28-6-4-14(5-7-28)18-8-16(18)11-31-10-15-2-3-17(9-19(15)22)29-13-23-26-27-29/h2-3,9,13-14,16,18H,4-8,10-12H2,1H3/t16-,18+/m0/s1
InChIKeyFLXNLCQVRCJKIX-FUHWJXTLSA-N
XLogP2.40
TPSA104.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-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-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(-n4cnnn4)cc3F)CC2)n1.
What is the InChIKey of 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is FLXNLCQVRCJKIX-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H26FN7O3/c1-30-12-20-24-21(32-25-20)28-6-4-14(5-7-28)18-8-16(18)11-31-10-15-2-3-17(9-19(15)22)29-13-23-26-27-29/h2-3,9,13-14,16,18H,4-8,10-12H2,1H3/t16-,18+/m0/s1.
What are the key properties of 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 443.48 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71474234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).