1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione

C25H19N5O5 — CID 112828506

IUPAC1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C25H19N5O5/c31-24-22(18-10-5-2-6-11-18)28(15-17-8-3-1-4-9-17)25(32)29(24)16-21-26-23(27-35-21)19-12-7-13-20(14-19)30(33)34/h1-14,22H,15-16H2
InChIKeyJUCWOLXZYVLRTG-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.35
Rot. Bonds7

About 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione

1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 112828506) has the molecular formula C25H19N5O5 and a molecular weight of 469.46 g/mol. Its IUPAC name is 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID112828506
Molecular FormulaC25H19N5O5
Molecular Weight469.46 g/mol
Exact Mass469.14
IUPAC Name1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C25H19N5O5/c31-24-22(18-10-5-2-6-11-18)28(15-17-8-3-1-4-9-17)25(32)29(24)16-21-26-23(27-35-21)19-12-7-13-20(14-19)30(33)34/h1-14,22H,15-16H2
InChIKeyJUCWOLXZYVLRTG-UHFFFAOYSA-N
XLogP4.35
TPSA122.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 39061235
5-[(4-benzylsulfonylpiperazin-1-yl)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 55625629
1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 55622254
5-[(1-benzyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole;hydrochloride
CID 2797585
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 60835770
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91635012
2-benzyl-5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46686008
3-(3-nitrophenyl)-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55626475
N-ethyl-N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 47046033
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55604328
1-methoxy-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344715
5-(1,4-diazepan-1-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 112828506) is 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione is O=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is JUCWOLXZYVLRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O5/c31-24-22(18-10-5-2-6-11-18)28(15-17-8-3-1-4-9-17)25(32)29(24)16-21-26-23(27-35-21)19-12-7-13-20(14-19)30(33)34/h1-14,22H,15-16H2.
What are the key properties of 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 469.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 112828506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).