1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione

C17H18N4O4 — CID 95306822

IUPAC1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCC(C)c1nc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)no1
InChIInChI=1S/C17H18N4O4/c1-10(2)14-18-13(19-25-14)9-20-15(22)16(23)21(17(20)24)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m1/s1
InChIKeyNMFQBKYGUNODRL-LLVKDONJSA-N
MW342.36 g/mol
LogP2.24
Rot. Bonds5

About 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione

1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 95306822) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID95306822
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCC(C)c1nc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)no1
InChIInChI=1S/C17H18N4O4/c1-10(2)14-18-13(19-25-14)9-20-15(22)16(23)21(17(20)24)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m1/s1
InChIKeyNMFQBKYGUNODRL-LLVKDONJSA-N
XLogP2.24
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione (CID 95306822) is 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione is CC(C)c1nc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)no1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is NMFQBKYGUNODRL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10(2)14-18-13(19-25-14)9-20-15(22)16(23)21(17(20)24)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione?
1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 342.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 95306822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).