2-Pyridin-4-yl-benzooxazol-5-ylamine

HCID 736009
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Basic information

CAS
349609-85-4
Standard SMILES
Nc1ccc2oc(-c3ccncc3)nc2c1
InChIKey
ZCTHPTXYNUMPGE-UHFFFAOYSA-N
Molecular formula
C12H9N3O
Average molar mass
211.22 g/mol
Monoisotopic mass
211.07456191

Names & identifiers

Preferred name
2-Pyridin-4-yl-benzooxazol-5-ylamine
IUPAC
2-pyridin-4-yl-1,3-benzoxazol-5-amine
English name
2-pyridin-4-yl-1,3-benzoxazol-5-amine
Molecular formula
C12H9N3O
Molecular weight
211.22

Names & synonyms

2-Pyridin-4-yl-benzooxazol-5-ylamine349609-85-4DTXSID90352904RefChem:266536DTXCID603039682-(pyridin-4-yl)benzo[d]oxazol-5-amine2-(pyridin-4-yl)-1,3-benzoxazol-5-amine2-pyridin-4-yl-1,3-benzoxazol-5-amineMFCD00448006CHEMBL16450992-Pyridin-4-ylbenzooxazol-5-yl amine2-(4-pyridyl)benzoxazole-5-ylamine
Show more names
1854625-Benzoxazolamine, 2-(4-pyridinyl)-2-(4-pyridyl)-1,3-benzoxazol-5-amine[2-(4-pyridyl)-1,3-benzoxazol-5-yl]amine
Oprea1_262137CBDivE_012963orb3144315SCHEMBL4076162ZCTHPTXYNUMPGE-UHFFFAOYSA-NALBB-0062242-(4-Pyridinyl)-5-benzoxazolamineBDBM50333214

Database identifiers

CAS
349609-85-4
PubChem CID
736009
DTXSID
DTXSID90352904
ChEMBL
CHEMBL1645099

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
64.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Boiling point
405.4 · 405.4±25.0 °C(Predicted)
Density
1.317 · 1.317±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Storage temp. -20°C
pka
5.92 · 5.92±0.10(Predicted)
Appearance
Light yellow to yellow Solid

Chemistry & industry

Suppliers10 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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