[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone

C25H31N5O2 — CID 155439334

IUPAC[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(-c2cccc(C3NNNN3)c2)cc1
InChIInChI=1S/C25H31N5O2/c31-24(22-5-2-14-32-22)30-12-10-25(11-13-30)16-21(25)18-8-6-17(7-9-18)19-3-1-4-20(15-19)23-26-28-29-27-23/h1,3-4,6-9,15,21-23,26-29H,2,5,10-14,16H2/t21-,22-/m1/s1
InChIKeyBHRDYKWPVJDLJS-FGZHOGPDSA-N
MW433.56 g/mol
LogP2.74
Rot. Bonds4

About [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone

[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 155439334) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
PubChem CID155439334
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(-c2cccc(C3NNNN3)c2)cc1
InChIInChI=1S/C25H31N5O2/c31-24(22-5-2-14-32-22)30-12-10-25(11-13-30)16-21(25)18-8-6-17(7-9-18)19-3-1-4-20(15-19)23-26-28-29-27-23/h1,3-4,6-9,15,21-23,26-29H,2,5,10-14,16H2/t21-,22-/m1/s1
InChIKeyBHRDYKWPVJDLJS-FGZHOGPDSA-N
XLogP2.74
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[4-[2-fluoro-5-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504908
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
7-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 146504697
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
CID 172954018
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160
4-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-3-(trifluoromethyl)benzoic acid
CID 146471201

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone (CID 155439334) is [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone is O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(-c2cccc(C3NNNN3)c2)cc1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
The InChIKey is BHRDYKWPVJDLJS-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-24(22-5-2-14-32-22)30-12-10-25(11-13-30)16-21(25)18-8-6-17(7-9-18)19-3-1-4-20(15-19)23-26-28-29-27-23/h1,3-4,6-9,15,21-23,26-29H,2,5,10-14,16H2/t21-,22-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone?
[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 433.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 155439334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).