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

C17H17NO3 — CID 135499774

IUPAC7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESCCCCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C17H17NO3/c1-2-3-4-12-9-14(20)10-15-16(12)21-17(18-15)11-5-7-13(19)8-6-11/h5-10,19-20H,2-4H2,1H3
InChIKeyMEBUPUARJUIPAP-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.25
Rot. Bonds4

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

7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135499774) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135499774
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESCCCCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C17H17NO3/c1-2-3-4-12-9-14(20)10-15-16(12)21-17(18-15)11-5-7-13(19)8-6-11/h5-10,19-20H,2-4H2,1H3
InChIKeyMEBUPUARJUIPAP-UHFFFAOYSA-N
XLogP4.25
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135499774) is 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is CCCCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is MEBUPUARJUIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-3-4-12-9-14(20)10-15-16(12)21-17(18-15)11-5-7-13(19)8-6-11/h5-10,19-20H,2-4H2,1H3.
What are the key properties of 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 283.33 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135499774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).