3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide

C17H12Cl2F3N3O5S — CID 58497961

IUPAC3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CS(=O)(=O)C1)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)no1
InChIInChI=1S/C17H12Cl2F3N3O5S/c18-9-1-8(2-10(19)3-9)16(17(20,21)22)5-13(25-30-16)12-4-14(29-24-12)15(26)23-11-6-31(27,28)7-11/h1-4,11H,5-7H2,(H,23,26)
InChIKeyIEMCMQKZPNCHEW-UHFFFAOYSA-N
MW498.27 g/mol
LogP3.09
Rot. Bonds4

About 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide

3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 58497961) has the molecular formula C17H12Cl2F3N3O5S and a molecular weight of 498.27 g/mol. Its IUPAC name is 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID58497961
Molecular FormulaC17H12Cl2F3N3O5S
Molecular Weight498.27 g/mol
Exact Mass496.98
IUPAC Name3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CS(=O)(=O)C1)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)no1
InChIInChI=1S/C17H12Cl2F3N3O5S/c18-9-1-8(2-10(19)3-9)16(17(20,21)22)5-13(25-30-16)12-4-14(29-24-12)15(26)23-11-6-31(27,28)7-11/h1-4,11H,5-7H2,(H,23,26)
InChIKeyIEMCMQKZPNCHEW-UHFFFAOYSA-N
XLogP3.09
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

CID 58497960
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CID 123470077
CID 123470077
CID 123777695
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CID 124000196
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CID 45815429
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CID 93613684
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CID 93613685

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide (CID 58497961) is 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide is O=C(NC1CS(=O)(=O)C1)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)no1.
What is the InChIKey of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is IEMCMQKZPNCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3O5S/c18-9-1-8(2-10(19)3-9)16(17(20,21)22)5-13(25-30-16)12-4-14(29-24-12)15(26)23-11-6-31(27,28)7-11/h1-4,11H,5-7H2,(H,23,26).
What are the key properties of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide?
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 498.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1,1-dioxothietan-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 58497961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).