5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine

C11H9N5O — CID 117326394

IUPAC5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(-n3nccn3)c2)on1
InChIInChI=1S/C11H9N5O/c12-11-7-10(17-15-11)8-2-1-3-9(6-8)16-13-4-5-14-16/h1-7H,(H2,12,15)
InChIKeyHATMIBZWARQMEM-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.50
Rot. Bonds2

About 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine

5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117326394) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117326394
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(-n3nccn3)c2)on1
InChIInChI=1S/C11H9N5O/c12-11-7-10(17-15-11)8-2-1-3-9(6-8)16-13-4-5-14-16/h1-7H,(H2,12,15)
InChIKeyHATMIBZWARQMEM-UHFFFAOYSA-N
XLogP1.50
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326392
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1,2-oxazol-3-amine
CID 117419702
5-[3-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazol-3-amine
CID 117328747
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
1-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylurea
CID 117336131
N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
CID 117421444
5-(3-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117332870
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117330160
5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 117360352
5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
CID 82467912

Frequently Asked Questions

What is the IUPAC name of 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine (CID 117326394) is 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2cccc(-n3nccn3)c2)on1.
What is the InChIKey of 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is HATMIBZWARQMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-11-7-10(17-15-11)8-2-1-3-9(6-8)16-13-4-5-14-16/h1-7H,(H2,12,15).
What are the key properties of 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 227.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117326394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).