4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile

C16H14N4O3 — CID 40918365

IUPAC4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCc1cc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)no1
InChIInChI=1S/C16H14N4O3/c1-10-7-13(19-23-10)9-20-14(21)16(2,18-15(20)22)12-5-3-11(8-17)4-6-12/h3-7H,9H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyBSYDIFWXAMFGTJ-MRXNPFEDSA-N
MW310.31 g/mol
LogP1.82
Rot. Bonds3

About 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile

4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 40918365) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
PubChem CID40918365
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
SMILESCc1cc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)no1
InChIInChI=1S/C16H14N4O3/c1-10-7-13(19-23-10)9-20-14(21)16(2,18-15(20)22)12-5-3-11(8-17)4-6-12/h3-7H,9H2,1-2H3,(H,18,22)/t16-/m1/s1
InChIKeyBSYDIFWXAMFGTJ-MRXNPFEDSA-N
XLogP1.82
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.82
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

5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226506
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
4-[[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2089145
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
4-[4-methyl-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 46674940
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
(5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95325192
4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 55602325
4-[[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7692013
4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 8762131
5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 17410607

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 40918365) is 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile is Cc1cc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)no1.
What is the InChIKey of 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
The InChIKey is BSYDIFWXAMFGTJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-7-13(19-23-10)9-20-14(21)16(2,18-15(20)22)12-5-3-11(8-17)4-6-12/h3-7H,9H2,1-2H3,(H,18,22)/t16-/m1/s1.
What are the key properties of 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile?
4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 310.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 40918365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).