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

C10H10N2O3 — CID 136998676

IUPAC2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(-c2cc(N)on2)cc1O
InChIInChI=1S/C10H10N2O3/c1-5-2-9(14)6(3-8(5)13)7-4-10(11)15-12-7/h2-4,13-14H,11H2,1H3
InChIKeyNDAQKSJEVCZHQW-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.64
Rot. Bonds1

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

2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol (PubChem CID 136998676) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
PubChem CID136998676
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(-c2cc(N)on2)cc1O
InChIInChI=1S/C10H10N2O3/c1-5-2-9(14)6(3-8(5)13)7-4-10(11)15-12-7/h2-4,13-14H,11H2,1H3
InChIKeyNDAQKSJEVCZHQW-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
4-(5-amino-1,2-oxazol-3-yl)-3-methylphenol
CID 137012596
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 136931065
2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
CID 136998708
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
CID 136998089
2-(5-amino-1,2-oxazol-3-yl)-4-morpholin-4-ylphenol
CID 136963478
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol (CID 136998676) is 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol is Cc1cc(O)c(-c2cc(N)on2)cc1O.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol?
The InChIKey is NDAQKSJEVCZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5-2-9(14)6(3-8(5)13)7-4-10(11)15-12-7/h2-4,13-14H,11H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol?
2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-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 2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol is sourced from PubChem (CID 136998676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).