N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide

C19H19N3O2S — CID 71792052

IUPACN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccs1
InChIInChI=1S/C19H19N3O2S/c23-17(15-10-7-13-25-15)21-19(11-5-2-6-12-19)18-20-16(22-24-18)14-8-3-1-4-9-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23)
InChIKeyCHJWELNZXSVMAU-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide

N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 71792052) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID71792052
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccs1
InChIInChI=1S/C19H19N3O2S/c23-17(15-10-7-13-25-15)21-19(11-5-2-6-12-19)18-20-16(22-24-18)14-8-3-1-4-9-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23)
InChIKeyCHJWELNZXSVMAU-UHFFFAOYSA-N
XLogP4.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
7-Phenyl-1-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-heptan-1-one
CID 24951003
7-Phenyl-1-(5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951158
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 150956546
N~2~-[4-(5-Phenethyl-1,2,4-oxadiazol-3-YL)phenyl]-2-thiophenecarboxamide
CID 1292624
3-[5-[1-(Thiophene-2-carbonyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 46891284
N-{4-[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-leucyl-glycine-nitrile
CID 50994140
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50994141
(R)-thiophen-2-yl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 54582622
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 56654510
5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 155516327
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 127052305

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide (CID 71792052) is N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccs1.
What is the InChIKey of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is CHJWELNZXSVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(15-10-7-13-25-15)21-19(11-5-2-6-12-19)18-20-16(22-24-18)14-8-3-1-4-9-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23).
What are the key properties of N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide?
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 71792052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).