[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine

C15H21N3O2 — CID 97179423

IUPAC[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC[C@@H](C)Oc1c(C)cc(-c2noc(CN)n2)cc1C
InChIInChI=1S/C15H21N3O2/c1-5-11(4)19-14-9(2)6-12(7-10(14)3)15-17-13(8-16)20-18-15/h6-7,11H,5,8,16H2,1-4H3/t11-/m1/s1
InChIKeyBIXGHTRJMVFNSJ-LLVKDONJSA-N
MW275.35 g/mol
LogP2.99
Rot. Bonds5

About [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 97179423) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID97179423
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC[C@@H](C)Oc1c(C)cc(-c2noc(CN)n2)cc1C
InChIInChI=1S/C15H21N3O2/c1-5-11(4)19-14-9(2)6-12(7-10(14)3)15-17-13(8-16)20-18-15/h6-7,11H,5,8,16H2,1-4H3/t11-/m1/s1
InChIKeyBIXGHTRJMVFNSJ-LLVKDONJSA-N
XLogP2.99
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(4-butan-2-yloxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 102548076
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
[3-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline
CID 115112711
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzene-1,2-diol
CID 136993816
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylbenzoic acid
CID 117369998
[3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346150
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412435
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 97179423) is [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine is CC[C@@H](C)Oc1c(C)cc(-c2noc(CN)n2)cc1C.
What is the InChIKey of [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BIXGHTRJMVFNSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-11(4)19-14-9(2)6-12(7-10(14)3)15-17-13(8-16)20-18-15/h6-7,11H,5,8,16H2,1-4H3/t11-/m1/s1.
What are the key properties of [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 97179423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).