(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C18H22N4O2 — CID 97130544

IUPAC(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1=O
InChIInChI=1S/C18H22N4O2/c1-21-10-5-8-18(17(21)23)9-11-22(13-18)12-15-19-20-16(24-15)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t18-/m0/s1
InChIKeyFGDFUHHURYJMBE-SFHVURJKSA-N
MW326.40 g/mol
LogP2.18
Rot. Bonds3

About (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97130544) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97130544
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1=O
InChIInChI=1S/C18H22N4O2/c1-21-10-5-8-18(17(21)23)9-11-22(13-18)12-15-19-20-16(24-15)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t18-/m0/s1
InChIKeyFGDFUHHURYJMBE-SFHVURJKSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97109798
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26333138
(3aR,7aS)-5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138377740
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
9-cyclopropyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637642
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
7-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895669
2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole
CID 157019802
buta-1,2,3-triene;2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;propa-1,2-diene;hydrochloride
CID 159019731
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97130544) is (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1=O.
What is the InChIKey of (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FGDFUHHURYJMBE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-10-5-8-18(17(21)23)9-11-22(13-18)12-15-19-20-16(24-15)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97130544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).