(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C21H23N3O5 — CID 7955672

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ncc(-c3ccccc3)o1)C2=O
InChIInChI=1S/C21H23N3O5/c1-14-7-5-6-10-21(14)19(26)24(20(27)23-21)12-18(25)28-13-17-22-11-16(29-17)15-8-3-2-4-9-15/h2-4,8-9,11,14H,5-7,10,12-13H2,1H3,(H,23,27)/t14-,21-/m1/s1
InChIKeyPPZNJJYOEXEUSP-SPLOXXLWSA-N
MW397.43 g/mol
LogP2.89
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7955672) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID7955672
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ncc(-c3ccccc3)o1)C2=O
InChIInChI=1S/C21H23N3O5/c1-14-7-5-6-10-21(14)19(26)24(20(27)23-21)12-18(25)28-13-17-22-11-16(29-17)15-8-3-2-4-9-15/h2-4,8-9,11,14H,5-7,10,12-13H2,1H3,(H,23,27)/t14-,21-/m1/s1
InChIKeyPPZNJJYOEXEUSP-SPLOXXLWSA-N
XLogP2.89
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9457179
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9071294
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793627
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792309
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010875
phenacyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480580
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955413
(2-phenoxyphenyl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955195
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55312376
(4-bromophenyl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955751
(3-methylphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480653
(1,3-dioxoisoindol-2-yl)methyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 18272293

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7955672) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ncc(-c3ccccc3)o1)C2=O.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is PPZNJJYOEXEUSP-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-14-7-5-6-10-21(14)19(26)24(20(27)23-21)12-18(25)28-13-17-22-11-16(29-17)15-8-3-2-4-9-15/h2-4,8-9,11,14H,5-7,10,12-13H2,1H3,(H,23,27)/t14-,21-/m1/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 397.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7955672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).