N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide

C18H24N4O3 — CID 120859450

IUPACN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2nc(C3(N)CCC3)no2)C(C)C)cc1
InChIInChI=1S/C18H24N4O3/c1-11(2)14(16-21-17(22-25-16)18(19)9-4-10-18)20-15(23)12-5-7-13(24-3)8-6-12/h5-8,11,14H,4,9-10,19H2,1-3H3,(H,20,23)
InChIKeyDGZSOUGGLDZMFI-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.54
Rot. Bonds6

About N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide (PubChem CID 120859450) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
PubChem CID120859450
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2nc(C3(N)CCC3)no2)C(C)C)cc1
InChIInChI=1S/C18H24N4O3/c1-11(2)14(16-21-17(22-25-16)18(19)9-4-10-18)20-15(23)12-5-7-13(24-3)8-6-12/h5-8,11,14H,4,9-10,19H2,1-3H3,(H,20,23)
InChIKeyDGZSOUGGLDZMFI-UHFFFAOYSA-N
XLogP2.54
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-4-chlorobenzamide
CID 120856740
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxybenzamide;hydrochloride
CID 120863327
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 120860974
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986
1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864326
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-naphthalen-2-ylacetamide;hydrochloride
CID 120859791
4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120865524
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide (CID 120859450) is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2nc(C3(N)CCC3)no2)C(C)C)cc1.
What is the InChIKey of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide?
The InChIKey is DGZSOUGGLDZMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)14(16-21-17(22-25-16)18(19)9-4-10-18)20-15(23)12-5-7-13(24-3)8-6-12/h5-8,11,14H,4,9-10,19H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide?
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide has a molecular weight of 344.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide is sourced from PubChem (CID 120859450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).