N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide

C17H13ClFN3O2S — CID 53126197

IUPACN-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2noc(-c3ccc(F)c(Cl)c3)n2)s1)C1CC1
InChIInChI=1S/C17H13ClFN3O2S/c18-12-7-10(3-5-13(12)19)17-21-15(22-24-17)14-6-4-11(25-14)8-20-16(23)9-1-2-9/h3-7,9H,1-2,8H2,(H,20,23)
InChIKeyVMXKZEMGEIBOAA-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.28
Rot. Bonds5

About N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide

N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 53126197) has the molecular formula C17H13ClFN3O2S and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
PubChem CID53126197
Molecular FormulaC17H13ClFN3O2S
Molecular Weight377.83 g/mol
Exact Mass377.04
IUPAC NameN-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2noc(-c3ccc(F)c(Cl)c3)n2)s1)C1CC1
InChIInChI=1S/C17H13ClFN3O2S/c18-12-7-10(3-5-13(12)19)17-21-15(22-24-17)14-6-4-11(25-14)8-20-16(23)9-1-2-9/h3-7,9H,1-2,8H2,(H,20,23)
InChIKeyVMXKZEMGEIBOAA-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
N-[[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126101
N-[[5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126126
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126080
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126019
N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 71843324
N-[[5-[5-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 71843325
N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126075
N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126180
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53030333

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (CID 53126197) is N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(-c2noc(-c3ccc(F)c(Cl)c3)n2)s1)C1CC1.
What is the InChIKey of N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is VMXKZEMGEIBOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S/c18-12-7-10(3-5-13(12)19)17-21-15(22-24-17)14-6-4-11(25-14)8-20-16(23)9-1-2-9/h3-7,9H,1-2,8H2,(H,20,23).
What are the key properties of N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53126197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).