[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol

C13H17N3O2 — CID 114186023

IUPAC[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
SMILESCc1nc(CCNCc2ccc(CO)cc2)no1
InChIInChI=1S/C13H17N3O2/c1-10-15-13(16-18-10)6-7-14-8-11-2-4-12(9-17)5-3-11/h2-5,14,17H,6-9H2,1H3
InChIKeyLSAAGUMFMNCXPM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.20
Rot. Bonds6

About [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol

[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol (PubChem CID 114186023) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
PubChem CID114186023
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
SMILESCc1nc(CCNCc2ccc(CO)cc2)no1
InChIInChI=1S/C13H17N3O2/c1-10-15-13(16-18-10)6-7-14-8-11-2-4-12(9-17)5-3-11/h2-5,14,17H,6-9H2,1H3
InChIKeyLSAAGUMFMNCXPM-UHFFFAOYSA-N
XLogP1.20
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 106413823
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
2-bromo-6-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 113229764
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-nitrophenyl)ethanamine
CID 107911464
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 114015020
[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 106413933
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol (CID 114186023) is [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol is Cc1nc(CCNCc2ccc(CO)cc2)no1.
What is the InChIKey of [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol?
The InChIKey is LSAAGUMFMNCXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-15-13(16-18-10)6-7-14-8-11-2-4-12(9-17)5-3-11/h2-5,14,17H,6-9H2,1H3.
What are the key properties of [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol?
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 114186023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).