[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone

C24H26N4O2 — CID 166337855

IUPAC[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2noc(-c3ccc4c(c3)CCCC4N)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-15-4-3-13-28(15)24(29)17-9-7-16(8-10-17)22-26-23(30-27-22)19-11-12-20-18(14-19)5-2-6-21(20)25/h7-12,14-15,21H,2-6,13,25H2,1H3
InChIKeyBAJQFFCKSTXDKD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.36
Rot. Bonds3

About [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone

[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 166337855) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID166337855
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2noc(-c3ccc4c(c3)CCCC4N)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-15-4-3-13-28(15)24(29)17-9-7-16(8-10-17)22-26-23(30-27-22)19-11-12-20-18(14-19)5-2-6-21(20)25/h7-12,14-15,21H,2-6,13,25H2,1H3
InChIKeyBAJQFFCKSTXDKD-UHFFFAOYSA-N
XLogP4.36
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

(1S)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166430679
(1R)-6-[3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166430678
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
6-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155956968
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methyl-1,4-oxazepan-4-yl)methanone
CID 136542799
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7405108
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone (CID 166337855) is [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1ccc(-c2noc(-c3ccc4c(c3)CCCC4N)n2)cc1.
What is the InChIKey of [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is BAJQFFCKSTXDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-4-3-13-28(15)24(29)17-9-7-16(8-10-17)22-26-23(30-27-22)19-11-12-20-18(14-19)5-2-6-21(20)25/h7-12,14-15,21H,2-6,13,25H2,1H3.
What are the key properties of [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone?
[4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).