[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium

C19H21ClN5O4+ — CID 9241750

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium
SMILESCC(C)N1C(=O)C(=O)N(C[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C1=O
InChIInChI=1S/C19H20ClN5O4/c1-11(2)25-18(27)17(26)24(19(25)28)10-23(14-7-8-14)9-15-21-22-16(29-15)12-3-5-13(20)6-4-12/h3-6,11,14H,7-10H2,1-2H3/p+1
InChIKeyDARMFZOKOZGYQJ-UHFFFAOYSA-O
MW418.86 g/mol
LogP1.09
Rot. Bonds7

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium (PubChem CID 9241750) has the molecular formula C19H21ClN5O4+ and a molecular weight of 418.86 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium
PubChem CID9241750
Molecular FormulaC19H21ClN5O4+
Molecular Weight418.86 g/mol
Exact Mass418.13
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium
SMILESCC(C)N1C(=O)C(=O)N(C[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C1=O
InChIInChI=1S/C19H20ClN5O4/c1-11(2)25-18(27)17(26)24(19(25)28)10-23(14-7-8-14)9-15-21-22-16(29-15)12-3-5-13(20)6-4-12/h3-6,11,14H,7-10H2,1-2H3/p+1
InChIKeyDARMFZOKOZGYQJ-UHFFFAOYSA-O
XLogP1.09
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 51.09
H-Bond Donors ≤ 51
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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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[(3-methyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-propan-2-ylazanium
CID 9241944
(3aR,7aR)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2540595
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926274
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 2559930
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium
CID 2497584
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one
CID 96509441
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutan-1-amine
CID 110652439
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
CID 43466953
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium (CID 9241750) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium is CC(C)N1C(=O)C(=O)N(C[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C1=O.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium?
The InChIKey is DARMFZOKOZGYQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20ClN5O4/c1-11(2)25-18(27)17(26)24(19(25)28)10-23(14-7-8-14)9-15-21-22-16(29-15)12-3-5-13(20)6-4-12/h3-6,11,14H,7-10H2,1-2H3/p+1.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium has a molecular weight of 418.86 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]azanium is sourced from PubChem (CID 9241750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).