(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine

C18H21N3O2 — CID 97231350

IUPAC(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCCc1noc(-c2cccc(CN[C@@H](C)c3ccco3)c2)n1
InChIInChI=1S/C18H21N3O2/c1-3-6-17-20-18(23-21-17)15-8-4-7-14(11-15)12-19-13(2)16-9-5-10-22-16/h4-5,7-11,13,19H,3,6,12H2,1-2H3/t13-/m0/s1
InChIKeyUAGPZEYNMCUVAX-ZDUSSCGKSA-N
MW311.39 g/mol
LogP4.13
Rot. Bonds7

About (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine

(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine (PubChem CID 97231350) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
PubChem CID97231350
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCCc1noc(-c2cccc(CN[C@@H](C)c3ccco3)c2)n1
InChIInChI=1S/C18H21N3O2/c1-3-6-17-20-18(23-21-17)15-8-4-7-14(11-15)12-19-13(2)16-9-5-10-22-16/h4-5,7-11,13,19H,3,6,12H2,1-2H3/t13-/m0/s1
InChIKeyUAGPZEYNMCUVAX-ZDUSSCGKSA-N
XLogP4.13
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

2-methyl-1-(2-methylpropyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111179144
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111587225
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111179665
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 72937186
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111233130
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine (CID 97231350) is (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine is CCCc1noc(-c2cccc(CN[C@@H](C)c3ccco3)c2)n1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
The InChIKey is UAGPZEYNMCUVAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-6-17-20-18(23-21-17)15-8-4-7-14(11-15)12-19-13(2)16-9-5-10-22-16/h4-5,7-11,13,19H,3,6,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine has a molecular weight of 311.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 97231350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).