4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol

C17H18N2O2 — CID 135511528

IUPAC4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
SMILESCc1cc(N)cc(-c2nc3cc(C(C)C)ccc3o2)c1O
InChIInChI=1S/C17H18N2O2/c1-9(2)11-4-5-15-14(7-11)19-17(21-15)13-8-12(18)6-10(3)16(13)20/h4-9,20H,18H2,1-3H3
InChIKeyYZTPEURXKIGGQF-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.21
Rot. Bonds2

About 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol

4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol (PubChem CID 135511528) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
PubChem CID135511528
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
SMILESCc1cc(N)cc(-c2nc3cc(C(C)C)ccc3o2)c1O
InChIInChI=1S/C17H18N2O2/c1-9(2)11-4-5-15-14(7-11)19-17(21-15)13-8-12(18)6-10(3)16(13)20/h4-9,20H,18H2,1-3H3
InChIKeyYZTPEURXKIGGQF-UHFFFAOYSA-N
XLogP4.21
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-hydroxy-3-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiourea
CID 135953111
4-amino-2-methyl-6-(6-methyl-1,3-benzoxazol-2-yl)phenol
CID 2978413
4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135760691
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
CID 136689049
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(4-bromo-3-methylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 91674215
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-benzoxazole
CID 95910359
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
5-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methylaniline
CID 40526857
2-chloro-N-[2-methyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683695
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 23908779

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol (CID 135511528) is 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol is Cc1cc(N)cc(-c2nc3cc(C(C)C)ccc3o2)c1O.
What is the InChIKey of 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is YZTPEURXKIGGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-9(2)11-4-5-15-14(7-11)19-17(21-15)13-8-12(18)6-10(3)16(13)20/h4-9,20H,18H2,1-3H3.
What are the key properties of 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol?
4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 282.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 135511528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).