5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide

C11H12N4O2S — CID 120863952

IUPAC5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2nc(C3(N)CCC3)no2)s1
InChIInChI=1S/C11H12N4O2S/c12-8(16)6-2-3-7(18-6)9-14-10(15-17-9)11(13)4-1-5-11/h2-3H,1,4-5,13H2,(H2,12,16)
InChIKeyLNHKCHSTGBDJNB-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.23
Rot. Bonds3

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

5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide (PubChem CID 120863952) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
PubChem CID120863952
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2nc(C3(N)CCC3)no2)s1
InChIInChI=1S/C11H12N4O2S/c12-8(16)6-2-3-7(18-6)9-14-10(15-17-9)11(13)4-1-5-11/h2-3H,1,4-5,13H2,(H2,12,16)
InChIKeyLNHKCHSTGBDJNB-UHFFFAOYSA-N
XLogP1.23
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-(5-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859392
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120863210
N-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120855614
1-[5-(2-pyridin-4-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862345
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856187
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61406799
N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120852105
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 62276141

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide (CID 120863952) is 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2nc(C3(N)CCC3)no2)s1.
What is the InChIKey of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
The InChIKey is LNHKCHSTGBDJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-8(16)6-2-3-7(18-6)9-14-10(15-17-9)11(13)4-1-5-11/h2-3H,1,4-5,13H2,(H2,12,16).
What are the key properties of 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide?
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 120863952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).