(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H25N5O2 — CID 97372776

IUPAC(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1coc(CN2CCC[C@]3(COCCN(Cc4cn[nH]n4)C3)C2)c1
InChIInChI=1S/C17H25N5O2/c1-3-16(24-7-1)11-21-5-2-4-17(12-21)13-22(6-8-23-14-17)10-15-9-18-20-19-15/h1,3,7,9H,2,4-6,8,10-14H2,(H,18,19,20)/t17-/m0/s1
InChIKeyOQHBSEDUPYUPQC-KRWDZBQOSA-N
MW331.42 g/mol
LogP1.51
Rot. Bonds4

About (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97372776) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97372776
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1coc(CN2CCC[C@]3(COCCN(Cc4cn[nH]n4)C3)C2)c1
InChIInChI=1S/C17H25N5O2/c1-3-16(24-7-1)11-21-5-2-4-17(12-21)13-22(6-8-23-14-17)10-15-9-18-20-19-15/h1,3,7,9H,2,4-6,8,10-14H2,(H,18,19,20)/t17-/m0/s1
InChIKeyOQHBSEDUPYUPQC-KRWDZBQOSA-N
XLogP1.51
TPSA70.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methylthiophen-2-yl)methyl]-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746048
(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472155
quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494512
(1-phenylpyrazol-4-yl)-[(6R)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398015
quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134074129
2-(furan-2-ylmethyl)-10-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696094
(5R)-10-cyclopropylsulfonyl-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472187
[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
CID 97472191
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
(6R)-11-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494971
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97372776) is (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1coc(CN2CCC[C@]3(COCCN(Cc4cn[nH]n4)C3)C2)c1.
What is the InChIKey of (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is OQHBSEDUPYUPQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-16(24-7-1)11-21-5-2-4-17(12-21)13-22(6-8-23-14-17)10-15-9-18-20-19-15/h1,3,7,9H,2,4-6,8,10-14H2,(H,18,19,20)/t17-/m0/s1.
What are the key properties of (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 331.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97372776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).