N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide

C19H26N4O2 — CID 120850394

IUPACN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(c1nc(C2(N)CCCC2)no1)C(C)C
InChIInChI=1S/C19H26N4O2/c1-12(2)15(21-16(24)14-9-5-4-8-13(14)3)17-22-18(23-25-17)19(20)10-6-7-11-19/h4-5,8-9,12,15H,6-7,10-11,20H2,1-3H3,(H,21,24)
InChIKeyRWQQRJYBGOJHDD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.23
Rot. Bonds5

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

N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide (PubChem CID 120850394) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide
PubChem CID120850394
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(c1nc(C2(N)CCCC2)no1)C(C)C
InChIInChI=1S/C19H26N4O2/c1-12(2)15(21-16(24)14-9-5-4-8-13(14)3)17-22-18(23-25-17)19(20)10-6-7-11-19/h4-5,8-9,12,15H,6-7,10-11,20H2,1-3H3,(H,21,24)
InChIKeyRWQQRJYBGOJHDD-UHFFFAOYSA-N
XLogP3.23
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]benzamide
CID 120861770
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-chlorobenzamide
CID 120856740
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-phenylacetamide
CID 120860986
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 120859791
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methylbenzenesulfonamide
CID 120853109
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide;hydrochloride
CID 120854836
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide;hydrochloride
CID 120855395

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide?
The IUPAC name of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide (CID 120850394) is N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(c1nc(C2(N)CCCC2)no1)C(C)C.
What is the InChIKey of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide?
The InChIKey is RWQQRJYBGOJHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)15(21-16(24)14-9-5-4-8-13(14)3)17-22-18(23-25-17)19(20)10-6-7-11-19/h4-5,8-9,12,15H,6-7,10-11,20H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide?
N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methylbenzamide is sourced from PubChem (CID 120850394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).