4-(7-amino-1,2-benzoxazol-3-yl)phenol

C13H10N2O2 — CID 136699603

IUPAC4-(7-amino-1,2-benzoxazol-3-yl)phenol
SMILESNc1cccc2c(-c3ccc(O)cc3)noc12
InChIInChI=1S/C13H10N2O2/c14-11-3-1-2-10-12(15-17-13(10)11)8-4-6-9(16)7-5-8/h1-7,16H,14H2
InChIKeyJUOVJIRJXUYHQE-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.78
Rot. Bonds1

About 4-(7-amino-1,2-benzoxazol-3-yl)phenol

4-(7-amino-1,2-benzoxazol-3-yl)phenol (PubChem CID 136699603) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(7-amino-1,2-benzoxazol-3-yl)phenol.

Molecular Properties

Compound Name4-(7-amino-1,2-benzoxazol-3-yl)phenol
PubChem CID136699603
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-(7-amino-1,2-benzoxazol-3-yl)phenol
SMILESNc1cccc2c(-c3ccc(O)cc3)noc12
InChIInChI=1S/C13H10N2O2/c14-11-3-1-2-10-12(15-17-13(10)11)8-4-6-9(16)7-5-8/h1-7,16H,14H2
InChIKeyJUOVJIRJXUYHQE-UHFFFAOYSA-N
XLogP2.78
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.78
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

3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
3-(difluoromethyl)-1,2-benzoxazol-7-amine
CID 84659396
3-(2,5-dimethylpyrrol-1-yl)-1,2-benzoxazol-7-amine
CID 126502324
4-(8-amino-3-phenylquinoxalin-2-yl)phenol
CID 141415206
7-ethyl-3-phenyl-1,2-benzoxazole
CID 12562676
2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 135575487
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-[3-(4-hydroxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
CID 135855834
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853
5-aminonaphthalen-1-ol;4-aminophenol
CID 19990694
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921047

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-1,2-benzoxazol-3-yl)phenol?
The IUPAC name of 4-(7-amino-1,2-benzoxazol-3-yl)phenol (CID 136699603) is 4-(7-amino-1,2-benzoxazol-3-yl)phenol.
What is the SMILES notation for 4-(7-amino-1,2-benzoxazol-3-yl)phenol?
The canonical SMILES for 4-(7-amino-1,2-benzoxazol-3-yl)phenol is Nc1cccc2c(-c3ccc(O)cc3)noc12.
What is the InChIKey of 4-(7-amino-1,2-benzoxazol-3-yl)phenol?
The InChIKey is JUOVJIRJXUYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-11-3-1-2-10-12(15-17-13(10)11)8-4-6-9(16)7-5-8/h1-7,16H,14H2.
What are the key properties of 4-(7-amino-1,2-benzoxazol-3-yl)phenol?
4-(7-amino-1,2-benzoxazol-3-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-1,2-benzoxazol-3-yl)phenol is sourced from PubChem (CID 136699603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).