(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine

C13H25N3O — CID 97335039

IUPAC(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine
SMILESCC[C@H](C)[C@@H](C)NCc1nc(CC(C)C)no1
InChIInChI=1S/C13H25N3O/c1-6-10(4)11(5)14-8-13-15-12(16-17-13)7-9(2)3/h9-11,14H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyJNAZGLGHMJYPTK-WDEREUQCSA-N
MW239.36 g/mol
LogP2.79
Rot. Bonds7

About (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine

(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine (PubChem CID 97335039) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine
PubChem CID97335039
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine
SMILESCC[C@H](C)[C@@H](C)NCc1nc(CC(C)C)no1
InChIInChI=1S/C13H25N3O/c1-6-10(4)11(5)14-8-13-15-12(16-17-13)7-9(2)3/h9-11,14H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyJNAZGLGHMJYPTK-WDEREUQCSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine with MolForge

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Related Compounds

N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 97184939
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348217
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethoxy)aniline
CID 154834769
3-chloro-4-ethoxy-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 154834758
4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 134018323
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine?
The IUPAC name of (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine (CID 97335039) is (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine.
What is the SMILES notation for (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine?
The canonical SMILES for (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine is CC[C@H](C)[C@@H](C)NCc1nc(CC(C)C)no1.
What is the InChIKey of (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine?
The InChIKey is JNAZGLGHMJYPTK-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-10(4)11(5)14-8-13-15-12(16-17-13)7-9(2)3/h9-11,14H,6-8H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine?
(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine is sourced from PubChem (CID 97335039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).