3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol

C10H10N2O3 — CID 117294489

IUPAC3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
SMILESCc1ccc(-c2cnoc2N)c(O)c1O
InChIInChI=1S/C10H10N2O3/c1-5-2-3-6(9(14)8(5)13)7-4-12-15-10(7)11/h2-4,13-14H,11H2,1H3
InChIKeyPFCDSZRUDITGCL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.64
Rot. Bonds1

About 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol

3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol (PubChem CID 117294489) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
PubChem CID117294489
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
SMILESCc1ccc(-c2cnoc2N)c(O)c1O
InChIInChI=1S/C10H10N2O3/c1-5-2-3-6(9(14)8(5)13)7-4-12-15-10(7)11/h2-4,13-14H,11H2,1H3
InChIKeyPFCDSZRUDITGCL-UHFFFAOYSA-N
XLogP1.64
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-1,2-oxazol-4-yl)-2,6-dimethylphenol
CID 117292468
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
CID 117299784
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117332534
2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117424037
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
2-(5-amino-1,2-oxazol-4-yl)-3,5-dimethylphenol
CID 117292479
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
CID 117329312
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
CID 117318069
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
CID 117388686

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol?
The IUPAC name of 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol (CID 117294489) is 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol is Cc1ccc(-c2cnoc2N)c(O)c1O.
What is the InChIKey of 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol?
The InChIKey is PFCDSZRUDITGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5-2-3-6(9(14)8(5)13)7-4-12-15-10(7)11/h2-4,13-14H,11H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol?
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol has a molecular weight of 206.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol is sourced from PubChem (CID 117294489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).