2-propan-2-yloxy-1,3-benzoxazol-4-ol

C10H11NO3 — CID 166456971

IUPAC2-propan-2-yloxy-1,3-benzoxazol-4-ol
SMILESCC(C)Oc1nc2c(O)cccc2o1
InChIInChI=1S/C10H11NO3/c1-6(2)13-10-11-9-7(12)4-3-5-8(9)14-10/h3-6,12H,1-2H3
InChIKeyWWLNKFBOFGZBSY-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.32
Rot. Bonds2

About 2-propan-2-yloxy-1,3-benzoxazol-4-ol

2-propan-2-yloxy-1,3-benzoxazol-4-ol (PubChem CID 166456971) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-propan-2-yloxy-1,3-benzoxazol-4-ol.

Molecular Properties

Compound Name2-propan-2-yloxy-1,3-benzoxazol-4-ol
PubChem CID166456971
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-propan-2-yloxy-1,3-benzoxazol-4-ol
SMILESCC(C)Oc1nc2c(O)cccc2o1
InChIInChI=1S/C10H11NO3/c1-6(2)13-10-11-9-7(12)4-3-5-8(9)14-10/h3-6,12H,1-2H3
InChIKeyWWLNKFBOFGZBSY-UHFFFAOYSA-N
XLogP2.32
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1,3-benzoxazol-4-ol?
The IUPAC name of 2-propan-2-yloxy-1,3-benzoxazol-4-ol (CID 166456971) is 2-propan-2-yloxy-1,3-benzoxazol-4-ol.
What is the SMILES notation for 2-propan-2-yloxy-1,3-benzoxazol-4-ol?
The canonical SMILES for 2-propan-2-yloxy-1,3-benzoxazol-4-ol is CC(C)Oc1nc2c(O)cccc2o1.
What is the InChIKey of 2-propan-2-yloxy-1,3-benzoxazol-4-ol?
The InChIKey is WWLNKFBOFGZBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(2)13-10-11-9-7(12)4-3-5-8(9)14-10/h3-6,12H,1-2H3.
What are the key properties of 2-propan-2-yloxy-1,3-benzoxazol-4-ol?
2-propan-2-yloxy-1,3-benzoxazol-4-ol has a molecular weight of 193.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1,3-benzoxazol-4-ol is sourced from PubChem (CID 166456971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).