[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H28N4O2 — CID 120859046

IUPAC[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1c1nc(C2(N)CCC2)no1
InChIInChI=1S/C22H28N4O2/c1-14-13-15-7-2-5-10-18(15)26(14)20(27)17-9-4-3-8-16(17)19-24-21(25-28-19)22(23)11-6-12-22/h2,5,7,10,14,16-17H,3-4,6,8-9,11-13,23H2,1H3
InChIKeyRECWXLQQYQTNAH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.66
Rot. Bonds3

About [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 120859046) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID120859046
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCC1c1nc(C2(N)CCC2)no1
InChIInChI=1S/C22H28N4O2/c1-14-13-15-7-2-5-10-18(15)26(14)20(27)17-9-4-3-8-16(17)19-24-21(25-28-19)22(23)11-6-12-22/h2,5,7,10,14,16-17H,3-4,6,8-9,11-13,23H2,1H3
InChIKeyRECWXLQQYQTNAH-UHFFFAOYSA-N
XLogP3.66
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone;hydrochloride
CID 119519283
(3aR,7aR)-2-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129419249
1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863772
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452390
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862589
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860824
1-[5-(2-cyclohexylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862372
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 120859046) is [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCCCC1c1nc(C2(N)CCC2)no1.
What is the InChIKey of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is RECWXLQQYQTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-13-15-7-2-5-10-18(15)26(14)20(27)17-9-4-3-8-16(17)19-24-21(25-28-19)22(23)11-6-12-22/h2,5,7,10,14,16-17H,3-4,6,8-9,11-13,23H2,1H3.
What are the key properties of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 120859046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).