N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide

C16H20N4O2 — CID 120863026

IUPACN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
SMILESCCC(=O)NC(c1ccccc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C16H20N4O2/c1-2-12(21)18-13(11-7-4-3-5-8-11)14-19-15(20-22-14)16(17)9-6-10-16/h3-5,7-8,13H,2,6,9-10,17H2,1H3,(H,18,21)
InChIKeyGIMLFMHOEPFFBM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds5

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

N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide (PubChem CID 120863026) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide.

Molecular Properties

Compound NameN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
PubChem CID120863026
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
SMILESCCC(=O)NC(c1ccccc1)c1nc(C2(N)CCC2)no1
InChIInChI=1S/C16H20N4O2/c1-2-12(21)18-13(11-7-4-3-5-8-11)14-19-15(20-22-14)16(17)9-6-10-16/h3-5,7-8,13H,2,6,9-10,17H2,1H3,(H,18,21)
InChIKeyGIMLFMHOEPFFBM-UHFFFAOYSA-N
XLogP2.02
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenylacetamide
CID 120860986
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]benzamide
CID 120861770
1-[5-[diethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851617
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide;hydrochloride
CID 120853886
1-[5-[dimethylamino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855328
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 120859791
1-[5-[(2,5-dichlorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859103
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]-2-methylpropyl]-2-methoxybenzamide;hydrochloride
CID 120863327
1-[5-(1-benzylsulfanyl-2-methylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859992

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide?
The IUPAC name of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide (CID 120863026) is N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide.
What is the SMILES notation for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide?
The canonical SMILES for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide is CCC(=O)NC(c1ccccc1)c1nc(C2(N)CCC2)no1.
What is the InChIKey of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide?
The InChIKey is GIMLFMHOEPFFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-12(21)18-13(11-7-4-3-5-8-11)14-19-15(20-22-14)16(17)9-6-10-16/h3-5,7-8,13H,2,6,9-10,17H2,1H3,(H,18,21).
What are the key properties of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide?
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide is sourced from PubChem (CID 120863026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).