(3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C20H17N3O4 — CID 33269667

IUPAC(3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H17N3O4/c24-17-20(10-9-13-5-1-2-6-14(13)20)21-18(25)23(17)12-11-22-15-7-3-4-8-16(15)27-19(22)26/h1-8H,9-12H2,(H,21,25)/t20-/m1/s1
InChIKeySRLHYRIRTAKUQN-HXUWFJFHSA-N
MW363.37 g/mol
LogP1.99
Rot. Bonds3

About (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 33269667) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID33269667
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H17N3O4/c24-17-20(10-9-13-5-1-2-6-14(13)20)21-18(25)23(17)12-11-22-15-7-3-4-8-16(15)27-19(22)26/h1-8H,9-12H2,(H,21,25)/t20-/m1/s1
InChIKeySRLHYRIRTAKUQN-HXUWFJFHSA-N
XLogP1.99
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.99
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

(3S)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 33269671
3'-[3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86964664
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33268074
3'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964488
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090
3'-(2-methylsulfonylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 56797064
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
3'-[2-(2,6-dimethylphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 17462485
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16571105

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 33269667) is (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCn1c(=O)oc2ccccc21.
What is the InChIKey of (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is SRLHYRIRTAKUQN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-17-20(10-9-13-5-1-2-6-14(13)20)21-18(25)23(17)12-11-22-15-7-3-4-8-16(15)27-19(22)26/h1-8H,9-12H2,(H,21,25)/t20-/m1/s1.
What are the key properties of (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 363.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 33269667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).