(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

C21H25N3O5 — CID 9010875

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)OCc2ncc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C21H25N3O5/c1-14(2)9-10-21(3)19(26)24(20(27)23-21)12-18(25)28-13-17-22-11-16(29-17)15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyOWJOJJUWLDYPSS-NRFANRHFSA-N
MW399.45 g/mol
LogP3.13
Rot. Bonds8

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 9010875) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID9010875
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)OCc2ncc(-c3ccccc3)o2)C1=O
InChIInChI=1S/C21H25N3O5/c1-14(2)9-10-21(3)19(26)24(20(27)23-21)12-18(25)28-13-17-22-11-16(29-17)15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyOWJOJJUWLDYPSS-NRFANRHFSA-N
XLogP3.13
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.13
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

(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-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955672
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010927
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011112
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792309
N-benzyl-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180750
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 46789897
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010849
[2-(4-acetylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011116
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 22830958
(5-phenyl-1,3-oxazol-2-yl)methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454592

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 9010875) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate is CC(C)CC[C@]1(C)NC(=O)N(CC(=O)OCc2ncc(-c3ccccc3)o2)C1=O.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is OWJOJJUWLDYPSS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14(2)9-10-21(3)19(26)24(20(27)23-21)12-18(25)28-13-17-22-11-16(29-17)15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 399.45 g/mol, XLogP of 3.13, 8 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-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 9010875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).