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

C15H13NO2 — CID 136658114

IUPAC4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C15H13NO2/c1-2-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17)7-5-11/h3-9,17H,2H2,1H3
InChIKeyVAPNZPKKSCYWCI-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.76
Rot. Bonds2

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

4-(5-ethyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 136658114) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
PubChem CID136658114
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C15H13NO2/c1-2-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17)7-5-11/h3-9,17H,2H2,1H3
InChIKeyVAPNZPKKSCYWCI-UHFFFAOYSA-N
XLogP3.76
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
CID 91678694
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole
CID 100817823
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol (CID 136658114) is 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol is CCc1ccc2oc(-c3ccc(O)cc3)nc2c1.
What is the InChIKey of 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is VAPNZPKKSCYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-10-3-8-14-13(9-10)16-15(18-14)11-4-6-12(17)7-5-11/h3-9,17H,2H2,1H3.
What are the key properties of 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 239.27 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 136658114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).