N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride

C14H19ClN4O2S — CID 120862787

IUPACN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
SMILESCC(=O)NC(Cc1nc(C2(N)CCC2)no1)c1cccs1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-9(19)16-10(11-4-2-7-21-11)8-12-17-13(18-20-12)14(15)5-3-6-14;/h2,4,7,10H,3,5-6,8,15H2,1H3,(H,16,19);1H
InChIKeyBHBPFUMTVBYNRB-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.31
Rot. Bonds5

About N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride

N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride (PubChem CID 120862787) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
PubChem CID120862787
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
SMILESCC(=O)NC(Cc1nc(C2(N)CCC2)no1)c1cccs1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-9(19)16-10(11-4-2-7-21-11)8-12-17-13(18-20-12)14(15)5-3-6-14;/h2,4,7,10H,3,5-6,8,15H2,1H3,(H,16,19);1H
InChIKeyBHBPFUMTVBYNRB-UHFFFAOYSA-N
XLogP2.31
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide
CID 120852534
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
CID 120868060
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 120852871
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120858775
[(1S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]urea
CID 95763183
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
1-[5-[2-[2-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861553
1-[5-[2-(4-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861354
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 42496838
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120855011

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride (CID 120862787) is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride is CC(=O)NC(Cc1nc(C2(N)CCC2)no1)c1cccs1.Cl.
What is the InChIKey of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride?
The InChIKey is BHBPFUMTVBYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S.ClH/c1-9(19)16-10(11-4-2-7-21-11)8-12-17-13(18-20-12)14(15)5-3-6-14;/h2,4,7,10H,3,5-6,8,15H2,1H3,(H,16,19);1H.
What are the key properties of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride?
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride has a molecular weight of 342.85 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 120862787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).