N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide

C16H20N4O3 — CID 120850243

IUPACN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C16H20N4O3/c1-22-12-6-4-11(5-7-12)14(21)18-10-13-19-15(20-23-13)16(17)8-2-3-9-16/h4-7H,2-3,8-10,17H2,1H3,(H,18,21)
InChIKeyYVLOKOMUSSTCIR-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.74
Rot. Bonds5

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

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide (PubChem CID 120850243) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
PubChem CID120850243
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C16H20N4O3/c1-22-12-6-4-11(5-7-12)14(21)18-10-13-19-15(20-23-13)16(17)8-2-3-9-16/h4-7H,2-3,8-10,17H2,1H3,(H,18,21)
InChIKeyYVLOKOMUSSTCIR-UHFFFAOYSA-N
XLogP1.74
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
N-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120855614
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 120851873
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120863210
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
CID 120857322
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 120859363
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-nitrobenzamide
CID 120850141
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide (CID 120850243) is N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide?
The InChIKey is YVLOKOMUSSTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-12-6-4-11(5-7-12)14(21)18-10-13-19-15(20-23-13)16(17)8-2-3-9-16/h4-7H,2-3,8-10,17H2,1H3,(H,18,21).
What are the key properties of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide?
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide has a molecular weight of 316.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 120850243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).