(5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H18N4O4 — CID 164642155

IUPAC(5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)N[C@]2(CCOC2)C1=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H18N4O4/c22-14(21-8-6-13(19-21)12-4-2-1-3-5-12)10-20-15(23)17(18-16(20)24)7-9-25-11-17/h1-5H,6-11H2,(H,18,24)/t17-/m0/s1
InChIKeyKSWARTMQIMJNAB-KRWDZBQOSA-N
MW342.35 g/mol
LogP0.33
Rot. Bonds3

About (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 164642155) has the molecular formula C17H18N4O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID164642155
Molecular FormulaC17H18N4O4
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name(5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)N[C@]2(CCOC2)C1=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H18N4O4/c22-14(21-8-6-13(19-21)12-4-2-1-3-5-12)10-20-15(23)17(18-16(20)24)7-9-25-11-17/h1-5H,6-11H2,(H,18,24)/t17-/m0/s1
InChIKeyKSWARTMQIMJNAB-KRWDZBQOSA-N
XLogP0.33
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 164642155) is (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is KSWARTMQIMJNAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-14(21-8-6-13(19-21)12-4-2-1-3-5-12)10-20-15(23)17(18-16(20)24)7-9-25-11-17/h1-5H,6-11H2,(H,18,24)/t17-/m0/s1.
What are the key properties of (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 342.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 164642155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).