4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine

C15H15N3O2 — CID 43518668

IUPAC4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine
SMILESCC(C)c1ccc(Oc2ccc(N)c3nonc23)cc1
InChIInChI=1S/C15H15N3O2/c1-9(2)10-3-5-11(6-4-10)19-13-8-7-12(16)14-15(13)18-20-17-14/h3-9H,16H2,1-2H3
InChIKeyDNTMPDOFWOERLQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.72
Rot. Bonds3

About 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine

4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine (PubChem CID 43518668) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine
PubChem CID43518668
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine
SMILESCC(C)c1ccc(Oc2ccc(N)c3nonc23)cc1
InChIInChI=1S/C15H15N3O2/c1-9(2)10-3-5-11(6-4-10)19-13-8-7-12(16)14-15(13)18-20-17-14/h3-9H,16H2,1-2H3
InChIKeyDNTMPDOFWOERLQ-UHFFFAOYSA-N
XLogP3.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-3-methylphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518735
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
4-(3-bromo-5-fluorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 81321925
4-(2-bromo-4-chlorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518701
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
bis[3-amino-4-(4-propan-2-ylphenoxy)phenyl]methanone
CID 139784246
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
4-(4-bromo-2-fluorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518747
5-methylsulfonyl-2-(4-propan-2-ylphenoxy)aniline
CID 43448136

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine (CID 43518668) is 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine is CC(C)c1ccc(Oc2ccc(N)c3nonc23)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine?
The InChIKey is DNTMPDOFWOERLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(2)10-3-5-11(6-4-10)19-13-8-7-12(16)14-15(13)18-20-17-14/h3-9H,16H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine?
4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine has a molecular weight of 269.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenoxy)-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 43518668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).