[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C20H22N4O — CID 120892509

IUPAC[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(-c3ccccc3N3CCCCC3)n2)cc1
InChIInChI=1S/C20H22N4O/c21-14-15-8-10-16(11-9-15)19-22-20(25-23-19)17-6-2-3-7-18(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14,21H2
InChIKeyQQTGUGZFQVKEKL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.85
Rot. Bonds4

About [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 120892509) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID120892509
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(-c3ccccc3N3CCCCC3)n2)cc1
InChIInChI=1S/C20H22N4O/c21-14-15-8-10-16(11-9-15)19-22-20(25-23-19)17-6-2-3-7-18(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14,21H2
InChIKeyQQTGUGZFQVKEKL-UHFFFAOYSA-N
XLogP3.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine with MolForge

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Related Compounds

[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479
N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120893398
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 166597730
1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine
CID 166360940
[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 82483584

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 120892509) is [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is NCc1ccc(-c2noc(-c3ccccc3N3CCCCC3)n2)cc1.
What is the InChIKey of [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is QQTGUGZFQVKEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-14-15-8-10-16(11-9-15)19-22-20(25-23-19)17-6-2-3-7-18(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14,21H2.
What are the key properties of [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 334.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 120892509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).