(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C17H19N3O2S — CID 99956366

IUPAC(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@@]2(CCN(Cc3nc(-c4ccccc4)cs3)C2)OC1=O
InChIInChI=1S/C17H19N3O2S/c1-19-11-17(22-16(19)21)7-8-20(12-17)9-15-18-14(10-23-15)13-5-3-2-4-6-13/h2-6,10H,7-9,11-12H2,1H3/t17-/m1/s1
InChIKeyBVVOKXHVRFWQMP-QGZVFWFLSA-N
MW329.42 g/mol
LogP2.84
Rot. Bonds3

About (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 99956366) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID99956366
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@@]2(CCN(Cc3nc(-c4ccccc4)cs3)C2)OC1=O
InChIInChI=1S/C17H19N3O2S/c1-19-11-17(22-16(19)21)7-8-20(12-17)9-15-18-14(10-23-15)13-5-3-2-4-6-13/h2-6,10H,7-9,11-12H2,1H3/t17-/m1/s1
InChIKeyBVVOKXHVRFWQMP-QGZVFWFLSA-N
XLogP2.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453114
(5R)-7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897184
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
CID 77095750
3-methyl-7-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56912482
3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56898795
3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56913773
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
1'-[(4-phenyl-1,3-thiazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561302
(5R)-7-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95868557
3-methyl-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77082111
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137327
(7S,9aR)-8-methyl-7-(2-methylpropyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56858878

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 99956366) is (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1C[C@@]2(CCN(Cc3nc(-c4ccccc4)cs3)C2)OC1=O.
What is the InChIKey of (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is BVVOKXHVRFWQMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19-11-17(22-16(19)21)7-8-20(12-17)9-15-18-14(10-23-15)13-5-3-2-4-6-13/h2-6,10H,7-9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 99956366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).