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

C13H17N3O2 — CID 82118685

IUPAC4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1nonc1N
InChIInChI=1S/C13H17N3O2/c1-13(2,3)8-5-6-10(17-4)9(7-8)11-12(14)16-18-15-11/h5-7H,1-4H3,(H2,14,16)
InChIKeyBZWRNRZBKRWERB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.62
Rot. Bonds2

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

4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 82118685) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
PubChem CID82118685
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1nonc1N
InChIInChI=1S/C13H17N3O2/c1-13(2,3)8-5-6-10(17-4)9(7-8)11-12(14)16-18-15-11/h5-7H,1-4H3,(H2,14,16)
InChIKeyBZWRNRZBKRWERB-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

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Related Compounds

6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 82049731
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
CID 116892178
2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
CID 90122592
4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 173164263
4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778104
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine (CID 82118685) is 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine is COc1ccc(C(C)(C)C)cc1-c1nonc1N.
What is the InChIKey of 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is BZWRNRZBKRWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)8-5-6-10(17-4)9(7-8)11-12(14)16-18-15-11/h5-7H,1-4H3,(H2,14,16).
What are the key properties of 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine?
4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-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 4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 82118685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).