N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C19H22N4O3 — CID 131905510

IUPACN-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESc1ccc(-c2noc(CCNCc3ccc(C4CCCCO4)o3)n2)nc1
InChIInChI=1S/C19H22N4O3/c1-3-10-21-15(5-1)19-22-18(26-23-19)9-11-20-13-14-7-8-17(25-14)16-6-2-4-12-24-16/h1,3,5,7-8,10,16,20H,2,4,6,9,11-13H2
InChIKeySKGJNWHRMQPNOF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.30
Rot. Bonds7

About N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 131905510) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID131905510
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESc1ccc(-c2noc(CCNCc3ccc(C4CCCCO4)o3)n2)nc1
InChIInChI=1S/C19H22N4O3/c1-3-10-21-15(5-1)19-22-18(26-23-19)9-11-20-13-14-7-8-17(25-14)16-6-2-4-12-24-16/h1,3,5,7-8,10,16,20H,2,4,6,9,11-13H2
InChIKeySKGJNWHRMQPNOF-UHFFFAOYSA-N
XLogP3.30
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70775278
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 166622994
1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
CID 131913739
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 131905510) is N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is c1ccc(-c2noc(CCNCc3ccc(C4CCCCO4)o3)n2)nc1.
What is the InChIKey of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is SKGJNWHRMQPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-10-21-15(5-1)19-22-18(26-23-19)9-11-20-13-14-7-8-17(25-14)16-6-2-4-12-24-16/h1,3,5,7-8,10,16,20H,2,4,6,9,11-13H2.
What are the key properties of N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 354.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 131905510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).