5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol

C15H14N2O2 — CID 168882947

IUPAC5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
SMILESCC(C)c1ncc(-c2nc3ccccc3o2)cc1O
InChIInChI=1S/C15H14N2O2/c1-9(2)14-12(18)7-10(8-16-14)15-17-11-5-3-4-6-13(11)19-15/h3-9,18H,1-2H3
InChIKeyBXGZWXCJSVRQEM-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.72
Rot. Bonds2

About 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol

5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol (PubChem CID 168882947) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
PubChem CID168882947
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
SMILESCC(C)c1ncc(-c2nc3ccccc3o2)cc1O
InChIInChI=1S/C15H14N2O2/c1-9(2)14-12(18)7-10(8-16-14)15-17-11-5-3-4-6-13(11)19-15/h3-9,18H,1-2H3
InChIKeyBXGZWXCJSVRQEM-UHFFFAOYSA-N
XLogP3.72
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-[4-(1-bromoethyl)phenyl]-1,3-benzoxazole
CID 23459165
2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole
CID 71104968
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 14093478

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol (CID 168882947) is 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol is CC(C)c1ncc(-c2nc3ccccc3o2)cc1O.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol?
The InChIKey is BXGZWXCJSVRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9(2)14-12(18)7-10(8-16-14)15-17-11-5-3-4-6-13(11)19-15/h3-9,18H,1-2H3.
What are the key properties of 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol?
5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol has a molecular weight of 254.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol is sourced from PubChem (CID 168882947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).