(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C18H21N3O3 — CID 7170829

IUPAC(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C18H21N3O3/c1-12-15(13(2)24-20-12)11-21-16(22)18(3,19-17(21)23)10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyWFQVGMTZFNUTIE-GOSISDBHSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds5

About (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 7170829) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID7170829
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C18H21N3O3/c1-12-15(13(2)24-20-12)11-21-16(22)18(3,19-17(21)23)10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyWFQVGMTZFNUTIE-GOSISDBHSA-N
XLogP2.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17391164
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
(5R)-5-methyl-5-(2-phenylethyl)-3-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 97157390
2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
CID 17402203
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2113206
(5R)-5-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 99827374
(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40804697
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30471857
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94870336
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 7170829) is (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is Cc1noc(C)c1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is WFQVGMTZFNUTIE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-15(13(2)24-20-12)11-21-16(22)18(3,19-17(21)23)10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,19,23)/t18-/m1/s1.
What are the key properties of (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7170829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).