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

C15H23N3O3 — CID 94812862

IUPAC(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)oc1C
InChIInChI=1S/C15H23N3O3/c1-9(2)6-7-15(5)13(19)18(14(20)17-15)8-12-16-10(3)11(4)21-12/h9H,6-8H2,1-5H3,(H,17,20)/t15-/m0/s1
InChIKeyADAMHVXEMYTYDF-HNNXBMFYSA-N
MW293.37 g/mol
LogP2.54
Rot. Bonds5

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

(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 94812862) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID94812862
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)oc1C
InChIInChI=1S/C15H23N3O3/c1-9(2)6-7-15(5)13(19)18(14(20)17-15)8-12-16-10(3)11(4)21-12/h9H,6-8H2,1-5H3,(H,17,20)/t15-/m0/s1
InChIKeyADAMHVXEMYTYDF-HNNXBMFYSA-N
XLogP2.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 94812862) is (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is Cc1nc(CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)oc1C.
What is the InChIKey of (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is ADAMHVXEMYTYDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)6-7-15(5)13(19)18(14(20)17-15)8-12-16-10(3)11(4)21-12/h9H,6-8H2,1-5H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 293.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 94812862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).