4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine

C8H6ClN3O — CID 171157533

IUPAC4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cn2)co1
InChIInChI=1S/C8H6ClN3O/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7/h1-4H,(H2,10,12)
InChIKeyYYEUPADOKNZFMM-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.97
Rot. Bonds1

About 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine

4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine (PubChem CID 171157533) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine
PubChem CID171157533
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cn2)co1
InChIInChI=1S/C8H6ClN3O/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7/h1-4H,(H2,10,12)
InChIKeyYYEUPADOKNZFMM-UHFFFAOYSA-N
XLogP1.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine (CID 171157533) is 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine is Nc1nc(-c2ccc(Cl)cn2)co1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine?
The InChIKey is YYEUPADOKNZFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-5-1-2-6(11-3-5)7-4-13-8(10)12-7/h1-4H,(H2,10,12).
What are the key properties of 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine?
4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine has a molecular weight of 195.61 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 171157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).