3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C19H15N5O5S — CID 112788366

IUPAC3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3sccc32)C(=O)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C19H15N5O5S/c25-17-19(8-1-2-14-13(19)7-9-30-14)20-18(26)23(17)10-15-21-22-16(29-15)11-3-5-12(6-4-11)24(27)28/h3-7,9H,1-2,8,10H2,(H,20,26)
InChIKeyABPBWWNEGDQUQQ-UHFFFAOYSA-N
MW425.43 g/mol
LogP2.99
Rot. Bonds4

About 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 112788366) has the molecular formula C19H15N5O5S and a molecular weight of 425.43 g/mol. Its IUPAC name is 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
PubChem CID112788366
Molecular FormulaC19H15N5O5S
Molecular Weight425.43 g/mol
Exact Mass425.08
IUPAC Name3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3sccc32)C(=O)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C19H15N5O5S/c25-17-19(8-1-2-14-13(19)7-9-30-14)20-18(26)23(17)10-15-21-22-16(29-15)11-3-5-12(6-4-11)24(27)28/h3-7,9H,1-2,8,10H2,(H,20,26)
InChIKeyABPBWWNEGDQUQQ-UHFFFAOYSA-N
XLogP2.99
TPSA131.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 25438619
(4S)-3'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 25438623
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112788610
5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112787554
(4R)-3'-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40953388
(4R)-3'-[(3-fluorophenyl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771561
(4S)-3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41023305
3'-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539491
(4S)-3'-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41143646
(4S)-3'-(cyclohexylmethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771937
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 31337841
(4R)-3'-[(3-oxobenzo[f]chromen-1-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41136752

Frequently Asked Questions

What is the IUPAC name of 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 112788366) is 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3sccc32)C(=O)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is ABPBWWNEGDQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5S/c25-17-19(8-1-2-14-13(19)7-9-30-14)20-18(26)23(17)10-15-21-22-16(29-15)11-3-5-12(6-4-11)24(27)28/h3-7,9H,1-2,8,10H2,(H,20,26).
What are the key properties of 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 425.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 112788366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).