7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one

C7H6N2O3 — CID 84652280

IUPAC7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one
SMILESNc1cc(O)cc2[nH]c(=O)oc12
InChIInChI=1S/C7H6N2O3/c8-4-1-3(10)2-5-6(4)12-7(11)9-5/h1-2,10H,8H2,(H,9,11)
InChIKeyBFEGSOVLXZSRGU-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.41
Rot. Bonds

About 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one

7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one (PubChem CID 84652280) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one
PubChem CID84652280
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one
SMILESNc1cc(O)cc2[nH]c(=O)oc12
InChIInChI=1S/C7H6N2O3/c8-4-1-3(10)2-5-6(4)12-7(11)9-5/h1-2,10H,8H2,(H,9,11)
InChIKeyBFEGSOVLXZSRGU-UHFFFAOYSA-N
XLogP0.41
TPSA92.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one
CID 84652015
5,7-dihydroxy-3H-1,3-benzoxazol-2-one
CID 11701104
5-acetyl-7-amino-3H-1,3-benzoxazol-2-one
CID 82095318
5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one
CID 82230003
7-amino-5-hydroxy-1,3-benzoxathiol-2-one
CID 91875333
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
6-amino-3H-furo[2,3-d][1,3]oxazol-2-one
CID 69288301
4-amino-1H-benzo[e][1,3]benzoxazol-2-one
CID 20524601
7-(2-aminoethyl)-5-bromo-3H-1,3-benzoxazol-2-one
CID 83901397
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
5-bromo-7-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
CID 71757294
6-amino-3H-1,3-benzoxazol-2-one;2-amino-5-nitrophenol;6-nitro-3H-1,3-benzoxazol-2-one
CID 158152767

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one (CID 84652280) is 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one is Nc1cc(O)cc2[nH]c(=O)oc12.
What is the InChIKey of 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one?
The InChIKey is BFEGSOVLXZSRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c8-4-1-3(10)2-5-6(4)12-7(11)9-5/h1-2,10H,8H2,(H,9,11).
What are the key properties of 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one?
7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one has a molecular weight of 166.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-hydroxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 84652280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).