N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine

C19H26N4O — CID 91644350

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
SMILESCC(C)C(C)N1Cc2cccc(NCc3noc(C4CC4)n3)c2C1
InChIInChI=1S/C19H26N4O/c1-12(2)13(3)23-10-15-5-4-6-17(16(15)11-23)20-9-18-21-19(24-22-18)14-7-8-14/h4-6,12-14,20H,7-11H2,1-3H3
InChIKeyTVMGVVOVCWSNKJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.92
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine (PubChem CID 91644350) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
PubChem CID91644350
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
SMILESCC(C)C(C)N1Cc2cccc(NCc3noc(C4CC4)n3)c2C1
InChIInChI=1S/C19H26N4O/c1-12(2)13(3)23-10-15-5-4-6-17(16(15)11-23)20-9-18-21-19(24-22-18)14-7-8-14/h4-6,12-14,20H,7-11H2,1-3H3
InChIKeyTVMGVVOVCWSNKJ-UHFFFAOYSA-N
XLogP3.92
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-phenylpent-2-en-1-amine
CID 171139769
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 72856906
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95302392
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099859
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226
N-methyl-1-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115077172
5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 97228310
3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
CID 131909514
2-chloro-6-fluoro-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99838002
[3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanol
CID 84596345

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine (CID 91644350) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine is CC(C)C(C)N1Cc2cccc(NCc3noc(C4CC4)n3)c2C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine?
The InChIKey is TVMGVVOVCWSNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)13(3)23-10-15-5-4-6-17(16(15)11-23)20-9-18-21-19(24-22-18)14-7-8-14/h4-6,12-14,20H,7-11H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 91644350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).