N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C17H12Cl2N2O2S — CID 90502682

IUPACN-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C17H12Cl2N2O2S/c18-10-6-11(19)8-12(7-10)20-16(22)17(3-4-17)15-9-13(23-21-15)14-2-1-5-24-14/h1-2,5-9H,3-4H2,(H,20,22)
InChIKeyZHEXICKKZJXBIG-UHFFFAOYSA-N
MW379.27 g/mol
LogP5.38
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502682) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502682
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC NameN-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C17H12Cl2N2O2S/c18-10-6-11(19)8-12(7-10)20-16(22)17(3-4-17)15-9-13(23-21-15)14-2-1-5-24-14/h1-2,5-9H,3-4H2,(H,20,22)
InChIKeyZHEXICKKZJXBIG-UHFFFAOYSA-N
XLogP5.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.27
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502682) is N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is ZHEXICKKZJXBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-10-6-11(19)8-12(7-10)20-16(22)17(3-4-17)15-9-13(23-21-15)14-2-1-5-24-14/h1-2,5-9H,3-4H2,(H,20,22).
What are the key properties of N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 379.27 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).