4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine

C11H9N3O3 — CID 146278275

IUPAC4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
SMILESCOc1cc(-c2ncco2)cc2onc(N)c12
InChIInChI=1S/C11H9N3O3/c1-15-7-4-6(11-13-2-3-16-11)5-8-9(7)10(12)14-17-8/h2-5H,1H3,(H2,12,14)
InChIKeyUPCUUUGFMRTSCS-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.07
Rot. Bonds2

About 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine

4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine (PubChem CID 146278275) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
PubChem CID146278275
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
SMILESCOc1cc(-c2ncco2)cc2onc(N)c12
InChIInChI=1S/C11H9N3O3/c1-15-7-4-6(11-13-2-3-16-11)5-8-9(7)10(12)14-17-8/h2-5H,1H3,(H2,12,14)
InChIKeyUPCUUUGFMRTSCS-UHFFFAOYSA-N
XLogP2.07
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
The IUPAC name of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine (CID 146278275) is 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine is COc1cc(-c2ncco2)cc2onc(N)c12.
What is the InChIKey of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
The InChIKey is UPCUUUGFMRTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-15-7-4-6(11-13-2-3-16-11)5-8-9(7)10(12)14-17-8/h2-5H,1H3,(H2,12,14).
What are the key properties of 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine?
4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine has a molecular weight of 231.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 146278275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).