(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H15N3O3S — CID 30471857

IUPAC(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)N[C@]2(CCSC2)C1=O
InChIInChI=1S/C12H15N3O3S/c1-7-9(8(2)18-14-7)5-15-10(16)12(13-11(15)17)3-4-19-6-12/h3-6H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKeyVGBDQRLHUAONEY-LBPRGKRZSA-N
MW281.34 g/mol
LogP1.22
Rot. Bonds2

About (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 30471857) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID30471857
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)N[C@]2(CCSC2)C1=O
InChIInChI=1S/C12H15N3O3S/c1-7-9(8(2)18-14-7)5-15-10(16)12(13-11(15)17)3-4-19-6-12/h3-6H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKeyVGBDQRLHUAONEY-LBPRGKRZSA-N
XLogP1.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42960204
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 78815185
(5R)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 36537561
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43046583
(5R)-3-[(4-methylsulfanylphenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31276425
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170829
3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131
(5S)-3-[(2-chlorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30479318
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
CID 121224616
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17391164
methyl 5-[[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512391
methyl 5-[[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512388

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 30471857) is (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is Cc1noc(C)c1CN1C(=O)N[C@]2(CCSC2)C1=O.
What is the InChIKey of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VGBDQRLHUAONEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-9(8(2)18-14-7)5-15-10(16)12(13-11(15)17)3-4-19-6-12/h3-6H2,1-2H3,(H,13,17)/t12-/m0/s1.
What are the key properties of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 30471857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).