5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine

C11H9N5O — CID 117326392

IUPAC5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(-n3nccn3)cc2)on1
InChIInChI=1S/C11H9N5O/c12-11-7-10(17-15-11)8-1-3-9(4-2-8)16-13-5-6-14-16/h1-7H,(H2,12,15)
InChIKeyNNRMMUHMZMEZEM-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.50
Rot. Bonds2

About 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine

5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117326392) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117326392
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(-n3nccn3)cc2)on1
InChIInChI=1S/C11H9N5O/c12-11-7-10(17-15-11)8-1-3-9(4-2-8)16-13-5-6-14-16/h1-7H,(H2,12,15)
InChIKeyNNRMMUHMZMEZEM-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-[3-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326394
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326354
5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 145311674
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
CID 82472660
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-(1-methylpyrrol-3-yl)-1,2-oxazol-3-amine
CID 82467912
[4-(3-amino-1,2-oxazol-5-yl)phenyl] carbamate
CID 175331108
5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117404768

Frequently Asked Questions

What is the IUPAC name of 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine (CID 117326392) is 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(-n3nccn3)cc2)on1.
What is the InChIKey of 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is NNRMMUHMZMEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-11-7-10(17-15-11)8-1-3-9(4-2-8)16-13-5-6-14-16/h1-7H,(H2,12,15).
What are the key properties of 5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine?
5-[4-(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-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117326392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).