N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

C9H9N3O3S — CID 29127652

IUPACN-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCO)c1nc(-c2cccs2)no1
InChIInChI=1S/C9H9N3O3S/c13-4-3-10-8(14)9-11-7(12-15-9)6-2-1-5-16-6/h1-2,5,13H,3-4H2,(H,10,14)
InChIKeyWWTRBSQQMPPLMC-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.52
Rot. Bonds4

About N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29127652) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID29127652
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC NameN-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCO)c1nc(-c2cccs2)no1
InChIInChI=1S/C9H9N3O3S/c13-4-3-10-8(14)9-11-7(12-15-9)6-2-1-5-16-6/h1-2,5,13H,3-4H2,(H,10,14)
InChIKeyWWTRBSQQMPPLMC-UHFFFAOYSA-N
XLogP0.52
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
N-[2-[(2-methoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083291
N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 16764750
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19586659
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083307
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083319
N-[(5-chloro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19589384
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
3-(3-chlorophenyl)-N-[2-(thiophene-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083702
N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570325
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 29127652) is N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NCCO)c1nc(-c2cccs2)no1.
What is the InChIKey of N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WWTRBSQQMPPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c13-4-3-10-8(14)9-11-7(12-15-9)6-2-1-5-16-6/h1-2,5,13H,3-4H2,(H,10,14).
What are the key properties of N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29127652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).