5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol

C17H18N2O2 — CID 136689049

IUPAC5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
SMILESCC[C@@H](C)c1ccc2oc(-c3ccc(N)cc3O)nc2c1
InChIInChI=1S/C17H18N2O2/c1-3-10(2)11-4-7-16-14(8-11)19-17(21-16)13-6-5-12(18)9-15(13)20/h4-10,20H,3,18H2,1-2H3/t10-/m1/s1
InChIKeyQAUBQMCNFNMNDS-SNVBAGLBSA-N
MW282.34 g/mol
LogP4.30
Rot. Bonds3

About 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol

5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol (PubChem CID 136689049) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
PubChem CID136689049
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
SMILESCC[C@@H](C)c1ccc2oc(-c3ccc(N)cc3O)nc2c1
InChIInChI=1S/C17H18N2O2/c1-3-10(2)11-4-7-16-14(8-11)19-17(21-16)13-6-5-12(18)9-15(13)20/h4-10,20H,3,18H2,1-2H3/t10-/m1/s1
InChIKeyQAUBQMCNFNMNDS-SNVBAGLBSA-N
XLogP4.30
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
5-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methylaniline
CID 40526857
4-amino-2-methyl-6-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135511528
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
5-amino-2-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]phenol
CID 135949417
N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-3-hydroxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 135950429
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
1-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-3-chloropropan-2-ol
CID 168638504
4-(5-ethyl-1,3-benzoxazol-2-yl)-3-fluoroaniline
CID 107795668
4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135760691

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol (CID 136689049) is 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol is CC[C@@H](C)c1ccc2oc(-c3ccc(N)cc3O)nc2c1.
What is the InChIKey of 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol?
The InChIKey is QAUBQMCNFNMNDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-10(2)11-4-7-16-14(8-11)19-17(21-16)13-6-5-12(18)9-15(13)20/h4-10,20H,3,18H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol?
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol has a molecular weight of 282.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 136689049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).