3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide

C18H21Cl2N3O4S — CID 55494607

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)N(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21Cl2N3O4S/c1-22(2)23(13-7-8-28(25,26)11-13)18(24)6-5-17-21-10-16(27-17)14-4-3-12(19)9-15(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3
InChIKeyIWWOOOKLIWWETF-UHFFFAOYSA-N
MW446.36 g/mol
LogP3.07
Rot. Bonds6

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 55494607) has the molecular formula C18H21Cl2N3O4S and a molecular weight of 446.36 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
PubChem CID55494607
Molecular FormulaC18H21Cl2N3O4S
Molecular Weight446.36 g/mol
Exact Mass445.06
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)N(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21Cl2N3O4S/c1-22(2)23(13-7-8-28(25,26)11-13)18(24)6-5-17-21-10-16(27-17)14-4-3-12(19)9-15(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3
InChIKeyIWWOOOKLIWWETF-UHFFFAOYSA-N
XLogP3.07
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 51929356
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 86943481
(3R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 51981068
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835841
ethyl 1-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 29432198
1-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256090
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 16593632
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119573335
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide (CID 55494607) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide is CN(C)N(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is IWWOOOKLIWWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4S/c1-22(2)23(13-7-8-28(25,26)11-13)18(24)6-5-17-21-10-16(27-17)14-4-3-12(19)9-15(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3.
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 446.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 55494607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).