(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C17H16N2O3S — CID 97056213

IUPAC(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H16N2O3S/c20-15-8-17(6-7-23-11-17)16(21)19(15)10-14-18-9-13(22-14)12-4-2-1-3-5-12/h1-5,9H,6-8,10-11H2/t17-/m0/s1
InChIKeyIHDMSYPKOJKVET-KRWDZBQOSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds3

About (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 97056213) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID97056213
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H16N2O3S/c20-15-8-17(6-7-23-11-17)16(21)19(15)10-14-18-9-13(22-14)12-4-2-1-3-5-12/h1-5,9H,6-8,10-11H2/t17-/m0/s1
InChIKeyIHDMSYPKOJKVET-KRWDZBQOSA-N
XLogP2.72
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 97056213) is (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1C[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is IHDMSYPKOJKVET-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-15-8-17(6-7-23-11-17)16(21)19(15)10-14-18-9-13(22-14)12-4-2-1-3-5-12/h1-5,9H,6-8,10-11H2/t17-/m0/s1.
What are the key properties of (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 328.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 97056213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).