4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine

C15H11ClN2O2 — CID 177376749

IUPAC4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)co1
InChIInChI=1S/C15H11ClN2O2/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-19-15(17)18-14/h1-9H,(H2,17,18)
InChIKeyAVRDEJWGVIEJDJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine

4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine (PubChem CID 177376749) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine
PubChem CID177376749
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)co1
InChIInChI=1S/C15H11ClN2O2/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-19-15(17)18-14/h1-9H,(H2,17,18)
InChIKeyAVRDEJWGVIEJDJ-UHFFFAOYSA-N
XLogP4.37
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine (CID 177376749) is 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine is Nc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)co1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine?
The InChIKey is AVRDEJWGVIEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-19-15(17)18-14/h1-9H,(H2,17,18).
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine?
4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine has a molecular weight of 286.72 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 177376749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).