1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol

C11H12N2O3 — CID 117313958

IUPAC1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol
SMILESNc1oncc1-c1ccccc1C(O)CO
InChIInChI=1S/C11H12N2O3/c12-11-9(5-13-16-11)7-3-1-2-4-8(7)10(15)6-14/h1-5,10,14-15H,6,12H2
InChIKeyORCWSCFPKWWYLK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.95
Rot. Bonds3

About 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol

1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol (PubChem CID 117313958) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol
PubChem CID117313958
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol
SMILESNc1oncc1-c1ccccc1C(O)CO
InChIInChI=1S/C11H12N2O3/c12-11-9(5-13-16-11)7-3-1-2-4-8(7)10(15)6-14/h1-5,10,14-15H,6,12H2
InChIKeyORCWSCFPKWWYLK-UHFFFAOYSA-N
XLogP0.95
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
CID 117318069
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol
CID 115112167
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
CID 117388686
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461674
4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117399587
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol
CID 117316621
1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
CID 57082676
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
CID 117299784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol (CID 117313958) is 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol is Nc1oncc1-c1ccccc1C(O)CO.
What is the InChIKey of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol?
The InChIKey is ORCWSCFPKWWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-11-9(5-13-16-11)7-3-1-2-4-8(7)10(15)6-14/h1-5,10,14-15H,6,12H2.
What are the key properties of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol?
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol has a molecular weight of 220.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117313958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).