1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione

C19H21N5O4 — CID 97345599

IUPAC1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)C(=O)N1
InChIInChI=1S/C19H21N5O4/c25-15-11-23(19(27)20-15)12-16(26)24-10-6-2-5-9-14(24)17-21-18(28-22-17)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,20,25,27)/t14-/m1/s1
InChIKeyGDHVAFUSPHPMOK-CQSZACIVSA-N
MW383.41 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione

1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 97345599) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID97345599
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)C(=O)N1
InChIInChI=1S/C19H21N5O4/c25-15-11-23(19(27)20-15)12-16(26)24-10-6-2-5-9-14(24)17-21-18(28-22-17)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,20,25,27)/t14-/m1/s1
InChIKeyGDHVAFUSPHPMOK-CQSZACIVSA-N
XLogP1.73
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.73
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

1-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-2-propylsulfonylethanone
CID 97345557
2-[2-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 120552919
2-(2-methoxy-4-methylphenoxy)-1-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 99782210
6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 97345604
3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 68687363
1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 75475127
1-methyl-5-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyrrole-3-carboxamide
CID 167859394
2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
CID 68688527
1-[2-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687337
N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
CID 75474704
5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 68686393
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione (CID 97345599) is 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CN(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)C(=O)N1.
What is the InChIKey of 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is GDHVAFUSPHPMOK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O4/c25-15-11-23(19(27)20-15)12-16(26)24-10-6-2-5-9-14(24)17-21-18(28-22-17)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,20,25,27)/t14-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione?
1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97345599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).