2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol

C10H11N3O2 — CID 69342392

IUPAC2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol
SMILESNc1ccc(CNc2ccno2)cc1O
InChIInChI=1S/C10H11N3O2/c11-8-2-1-7(5-9(8)14)6-12-10-3-4-13-15-10/h1-5,12,14H,6,11H2
InChIKeyJQIBUMOEHLQCFU-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol

2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol (PubChem CID 69342392) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol
PubChem CID69342392
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol
SMILESNc1ccc(CNc2ccno2)cc1O
InChIInChI=1S/C10H11N3O2/c11-8-2-1-7(5-9(8)14)6-12-10-3-4-13-15-10/h1-5,12,14H,6,11H2
InChIKeyJQIBUMOEHLQCFU-UHFFFAOYSA-N
XLogP1.57
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(pyridin-2-ylamino)methyl]phenol
CID 69342170
2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol
CID 69341732
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
2-amino-4-[(4-hydroxyanilino)methyl]phenol
CID 105487893
2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106422640
2-amino-5-[(3-aminophenyl)methyl]phenol
CID 23106868
(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
2-(4-amino-3-hydroxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 69305950
2-amino-4-[(propan-2-ylamino)methyl]phenol
CID 84657542
2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide
CID 69439974
3-(3,4-dihydroxyphenyl)-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 61070986
1,2-oxazol-5-ylmethylhydrazine
CID 141044589

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol?
The IUPAC name of 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol (CID 69342392) is 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol.
What is the SMILES notation for 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol?
The canonical SMILES for 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol is Nc1ccc(CNc2ccno2)cc1O.
What is the InChIKey of 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol?
The InChIKey is JQIBUMOEHLQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-8-2-1-7(5-9(8)14)6-12-10-3-4-13-15-10/h1-5,12,14H,6,11H2.
What are the key properties of 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol?
2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol has a molecular weight of 205.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol is sourced from PubChem (CID 69342392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).