[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

C15H13Cl2N3O4 — CID 24686589

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)CC1(Cl)Cl
InChIInChI=1S/C15H13Cl2N3O4/c1-14(8-15(14,16)17)12(22)23-7-10(21)18-13-20-19-11(24-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,20,21)
InChIKeyHAMKWGOHGZKEIF-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.80
Rot. Bonds5

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 24686589) has the molecular formula C15H13Cl2N3O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID24686589
Molecular FormulaC15H13Cl2N3O4
Molecular Weight370.19 g/mol
Exact Mass369.03
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)CC1(Cl)Cl
InChIInChI=1S/C15H13Cl2N3O4/c1-14(8-15(14,16)17)12(22)23-7-10(21)18-13-20-19-11(24-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,20,21)
InChIKeyHAMKWGOHGZKEIF-UHFFFAOYSA-N
XLogP2.80
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485399
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767186
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-bromobenzoate
CID 7775323
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylbenzoate
CID 8112872
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate
CID 7874687
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718248
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate
CID 24686287
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 24982441
N-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 4190701
Butanamide, N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CID 5154602
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 7244039

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 24686589) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)CC1(Cl)Cl.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is HAMKWGOHGZKEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4/c1-14(8-15(14,16)17)12(22)23-7-10(21)18-13-20-19-11(24-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,20,21).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 370.19 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 24686589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).