4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol

C15H14N2O2 — CID 653891

IUPAC4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3cc(N)ccc3O)nc2c1
InChIInChI=1S/C15H14N2O2/c1-2-9-3-6-14-12(7-9)17-15(19-14)11-8-10(16)4-5-13(11)18/h3-8,18H,2,16H2,1H3
InChIKeyLXXCOQFLSNNADZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.35
Rot. Bonds2

About 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol

4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 653891) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
PubChem CID653891
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3cc(N)ccc3O)nc2c1
InChIInChI=1S/C15H14N2O2/c1-2-9-3-6-14-12(7-9)17-15(19-14)11-8-10(16)4-5-13(11)18/h3-8,18H,2,16H2,1H3
InChIKeyLXXCOQFLSNNADZ-UHFFFAOYSA-N
XLogP3.35
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.35
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

5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
4-(5-ethyl-1,3-benzoxazol-2-yl)-3-fluoroaniline
CID 107795668
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 3972627
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]propanamide
CID 137156685
5-amino-2-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenol
CID 136689049
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 135700297
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-iodobenzamide
CID 137066979

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol (CID 653891) is 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol is CCc1ccc2oc(-c3cc(N)ccc3O)nc2c1.
What is the InChIKey of 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is LXXCOQFLSNNADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-9-3-6-14-12(7-9)17-15(19-14)11-8-10(16)4-5-13(11)18/h3-8,18H,2,16H2,1H3.
What are the key properties of 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 254.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 653891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).