[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine

C14H19N3O — CID 81318498

IUPAC[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESCC(C)Cc1noc(Cc2ccccc2CN)n1
InChIInChI=1S/C14H19N3O/c1-10(2)7-13-16-14(18-17-13)8-11-5-3-4-6-12(11)9-15/h3-6,10H,7-9,15H2,1-2H3
InChIKeyOLLPNMJJWSSSOZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.32
Rot. Bonds5

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

[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (PubChem CID 81318498) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
PubChem CID81318498
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESCC(C)Cc1noc(Cc2ccccc2CN)n1
InChIInChI=1S/C14H19N3O/c1-10(2)7-13-16-14(18-17-13)8-11-5-3-4-6-12(11)9-15/h3-6,10H,7-9,15H2,1-2H3
InChIKeyOLLPNMJJWSSSOZ-UHFFFAOYSA-N
XLogP2.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The IUPAC name of [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (CID 81318498) is [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The canonical SMILES for [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is CC(C)Cc1noc(Cc2ccccc2CN)n1.
What is the InChIKey of [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The InChIKey is OLLPNMJJWSSSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)7-13-16-14(18-17-13)8-11-5-3-4-6-12(11)9-15/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 81318498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).