[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

C12H15N3O — CID 82471864

IUPAC[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1cc(C)c(-c2nnc(CN)o2)cc1C
InChIInChI=1S/C12H15N3O/c1-7-4-9(3)10(5-8(7)2)12-15-14-11(6-13)16-12/h4-5H,6,13H2,1-3H3
InChIKeyUHWRDQVLKOOAEW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds2

About [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82471864) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82471864
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1cc(C)c(-c2nnc(CN)o2)cc1C
InChIInChI=1S/C12H15N3O/c1-7-4-9(3)10(5-8(7)2)12-15-14-11(6-13)16-12/h4-5H,6,13H2,1-3H3
InChIKeyUHWRDQVLKOOAEW-UHFFFAOYSA-N
XLogP2.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
[5-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62339836
[5-(3-methyl-5-phosphanylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 143470907
[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106855917
[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070230
2-[5-(2-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071298
2-[5-(2-methyl-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55034720
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769

Frequently Asked Questions

What is the IUPAC name of [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82471864) is [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is Cc1cc(C)c(-c2nnc(CN)o2)cc1C.
What is the InChIKey of [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is UHWRDQVLKOOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-4-9(3)10(5-8(7)2)12-15-14-11(6-13)16-12/h4-5H,6,13H2,1-3H3.
What are the key properties of [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82471864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).