5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C13H17N3O2 — CID 82479864

IUPAC5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1C(C)(C)C
InChIInChI=1S/C13H17N3O2/c1-13(2,3)9-7-8(5-6-10(9)17-4)11-15-16-12(14)18-11/h5-7H,1-4H3,(H2,14,16)
InChIKeyKTFGRXQCTOKNDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.62
Rot. Bonds2

About 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 82479864) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID82479864
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1C(C)(C)C
InChIInChI=1S/C13H17N3O2/c1-13(2,3)9-7-8(5-6-10(9)17-4)11-15-16-12(14)18-11/h5-7H,1-4H3,(H2,14,16)
InChIKeyKTFGRXQCTOKNDI-UHFFFAOYSA-N
XLogP2.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
CID 82301803
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
CID 82128672
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681818
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
CID 137204559
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 82479864) is 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(N)o2)cc1C(C)(C)C.
What is the InChIKey of 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KTFGRXQCTOKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)9-7-8(5-6-10(9)17-4)11-15-16-12(14)18-11/h5-7H,1-4H3,(H2,14,16).
What are the key properties of 5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.62, 2 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-amine is sourced from PubChem (CID 82479864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).