[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

C14H19N3O2 — CID 82133053

IUPAC[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOc1ccc(-c2nnc(CN)o2)cc1C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-14(2,3)10-7-9(5-6-11(10)18-4)13-17-16-12(8-15)19-13/h5-7H,8,15H2,1-4H3
InChIKeyWDDGUXDOBHDTAX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.50
Rot. Bonds3

About [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82133053) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82133053
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOc1ccc(-c2nnc(CN)o2)cc1C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-14(2,3)10-7-9(5-6-11(10)18-4)13-17-16-12(8-15)19-13/h5-7H,8,15H2,1-4H3
InChIKeyWDDGUXDOBHDTAX-UHFFFAOYSA-N
XLogP2.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
N-[[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62921409
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
N-[[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138706
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
CID 110653155
2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 104783442
4-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653182

Frequently Asked Questions

What is the IUPAC name of [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82133053) is [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is COc1ccc(-c2nnc(CN)o2)cc1C(C)(C)C.
What is the InChIKey of [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is WDDGUXDOBHDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)10-7-9(5-6-11(10)18-4)13-17-16-12(8-15)19-13/h5-7H,8,15H2,1-4H3.
What are the key properties of [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82133053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).