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

C12H9ClN4O — CID 117406065

IUPAC3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(-n3cccn3)c(Cl)c2)no1
InChIInChI=1S/C12H9ClN4O/c13-9-6-8(10-7-12(14)18-16-10)2-3-11(9)17-5-1-4-15-17/h1-7H,14H2
InChIKeyKMORMGGVZIBEJJ-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.76
Rot. Bonds2

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

3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117406065) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117406065
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(-n3cccn3)c(Cl)c2)no1
InChIInChI=1S/C12H9ClN4O/c13-9-6-8(10-7-12(14)18-16-10)2-3-11(9)17-5-1-4-15-17/h1-7H,14H2
InChIKeyKMORMGGVZIBEJJ-UHFFFAOYSA-N
XLogP2.76
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine (CID 117406065) is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(-n3cccn3)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is KMORMGGVZIBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-9-6-8(10-7-12(14)18-16-10)2-3-11(9)17-5-1-4-15-17/h1-7H,14H2.
What are the key properties of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 260.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117406065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).