(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine

C13H17N3O — CID 107911793

IUPAC(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1nc(CN[C@H](C)c2ccccc2C)no1
InChIInChI=1S/C13H17N3O/c1-9-6-4-5-7-12(9)10(2)14-8-13-15-11(3)17-16-13/h4-7,10,14H,8H2,1-3H3/t10-/m1/s1
InChIKeyHTRLMWKCZSNADP-SNVBAGLBSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds4

About (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine

(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 107911793) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID107911793
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1nc(CN[C@H](C)c2ccccc2C)no1
InChIInChI=1S/C13H17N3O/c1-9-6-4-5-7-12(9)10(2)14-8-13-15-11(3)17-16-13/h4-7,10,14H,8H2,1-3H3/t10-/m1/s1
InChIKeyHTRLMWKCZSNADP-SNVBAGLBSA-N
XLogP2.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 84596270
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
CID 114182895
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
1-(4-tert-butylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103827365
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374522
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 107911793) is (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1nc(CN[C@H](C)c2ccccc2C)no1.
What is the InChIKey of (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is HTRLMWKCZSNADP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-4-5-7-12(9)10(2)14-8-13-15-11(3)17-16-13/h4-7,10,14H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 107911793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).