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

C19H17N3O2S — CID 71843324

IUPACN-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2noc(C=Cc3ccccc3)n2)s1)C1CC1
InChIInChI=1S/C19H17N3O2S/c23-19(14-7-8-14)20-12-15-9-10-16(25-15)18-21-17(24-22-18)11-6-13-4-2-1-3-5-13/h1-6,9-11,14H,7-8,12H2,(H,20,23)
InChIKeyIGSFEXPKLFNLMM-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.99
Rot. Bonds6

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

N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 71843324) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
PubChem CID71843324
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2noc(C=Cc3ccccc3)n2)s1)C1CC1
InChIInChI=1S/C19H17N3O2S/c23-19(14-7-8-14)20-12-15-9-10-16(25-15)18-21-17(24-22-18)11-6-13-4-2-1-3-5-13/h1-6,9-11,14H,7-8,12H2,(H,20,23)
InChIKeyIGSFEXPKLFNLMM-UHFFFAOYSA-N
XLogP3.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
N-[[5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126126
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126180
2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
CID 142423263
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049
N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53125965
N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 95092058
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (CID 71843324) is N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(-c2noc(C=Cc3ccccc3)n2)s1)C1CC1.
What is the InChIKey of N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is IGSFEXPKLFNLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-19(14-7-8-14)20-12-15-9-10-16(25-15)18-21-17(24-22-18)11-6-13-4-2-1-3-5-13/h1-6,9-11,14H,7-8,12H2,(H,20,23).
What are the key properties of N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 71843324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).