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

C17H14FN3O2S — CID 53126134

IUPACN-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2noc(-c3ccc(F)cc3)n2)s1)C1CC1
InChIInChI=1S/C17H14FN3O2S/c18-12-5-3-11(4-6-12)17-20-15(21-23-17)14-8-7-13(24-14)9-19-16(22)10-1-2-10/h3-8,10H,1-2,9H2,(H,19,22)
InChIKeyATNHIZMRKRPXEP-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.63
Rot. Bonds5

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

N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 53126134) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
PubChem CID53126134
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2noc(-c3ccc(F)cc3)n2)s1)C1CC1
InChIInChI=1S/C17H14FN3O2S/c18-12-5-3-11(4-6-12)17-20-15(21-23-17)14-8-7-13(24-14)9-19-16(22)10-1-2-10/h3-8,10H,1-2,9H2,(H,19,22)
InChIKeyATNHIZMRKRPXEP-UHFFFAOYSA-N
XLogP3.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
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-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 71843324
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126080
N-[[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126101
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126019
N-[[5-[5-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 71843325
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126180
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 53156110
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (CID 53126134) is N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(-c2noc(-c3ccc(F)cc3)n2)s1)C1CC1.
What is the InChIKey of N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ATNHIZMRKRPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-12-5-3-11(4-6-12)17-20-15(21-23-17)14-8-7-13(24-14)9-19-16(22)10-1-2-10/h3-8,10H,1-2,9H2,(H,19,22).
What are the key properties of N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53126134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).