2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol

C16H15NO3 — CID 135442595

IUPAC2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol
SMILESCC(C)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H15NO3/c1-9(2)13-7-12(19)8-14-15(13)20-16(17-14)10-3-5-11(18)6-4-10/h3-9,18-19H,1-2H3
InChIKeyXMPVRZGJAQOXGV-UHFFFAOYSA-N
MW269.30 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol

2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol (PubChem CID 135442595) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol
PubChem CID135442595
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol
SMILESCC(C)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H15NO3/c1-9(2)13-7-12(19)8-14-15(13)20-16(17-14)10-3-5-11(18)6-4-10/h3-9,18-19H,1-2H3
InChIKeyXMPVRZGJAQOXGV-UHFFFAOYSA-N
XLogP4.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol (CID 135442595) is 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol is CC(C)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol?
The InChIKey is XMPVRZGJAQOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-9(2)13-7-12(19)8-14-15(13)20-16(17-14)10-3-5-11(18)6-4-10/h3-9,18-19H,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol?
2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol has a molecular weight of 269.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-propan-2-yl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135442595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).