N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride

C15H19ClN4O2 — CID 120864077

IUPACN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-10(17-12(20)11-6-3-2-4-7-11)13-18-14(19-21-13)15(16)8-5-9-15;/h2-4,6-7,10H,5,8-9,16H2,1H3,(H,17,20);1H
InChIKeyRPTXWTOGLITNGL-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.32
Rot. Bonds4

About N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride (PubChem CID 120864077) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
PubChem CID120864077
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1)c1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-10(17-12(20)11-6-3-2-4-7-11)13-18-14(19-21-13)15(16)8-5-9-15;/h2-4,6-7,10H,5,8-9,16H2,1H3,(H,17,20);1H
InChIKeyRPTXWTOGLITNGL-UHFFFAOYSA-N
XLogP2.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 120861770
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide
CID 120856740
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
CID 120863026
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 120860974
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide
CID 120850394
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxybenzamide;hydrochloride
CID 120863327
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide;hydrochloride
CID 120855395
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 120859791

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride (CID 120864077) is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride is CC(NC(=O)c1ccccc1)c1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
The InChIKey is RPTXWTOGLITNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c1-10(17-12(20)11-6-3-2-4-7-11)13-18-14(19-21-13)15(16)8-5-9-15;/h2-4,6-7,10H,5,8-9,16H2,1H3,(H,17,20);1H.
What are the key properties of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 120864077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).