(5-phenyl-1,3-benzoxazol-2-yl)methanol

C14H11NO2 — CID 22062842

IUPAC(5-phenyl-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C14H11NO2/c16-9-14-15-12-8-11(6-7-13(12)17-14)10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyPKLWJXRYFYWBLL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.99
Rot. Bonds2

About (5-phenyl-1,3-benzoxazol-2-yl)methanol

(5-phenyl-1,3-benzoxazol-2-yl)methanol (PubChem CID 22062842) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (5-phenyl-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(5-phenyl-1,3-benzoxazol-2-yl)methanol
PubChem CID22062842
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(5-phenyl-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C14H11NO2/c16-9-14-15-12-8-11(6-7-13(12)17-14)10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyPKLWJXRYFYWBLL-UHFFFAOYSA-N
XLogP2.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 135058168
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
N-(3-aminopropyl)-2-[(5-phenyl-1,3-benzoxazol-2-yl)methylsulfanyl]acetamide
CID 59934772
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (5-phenyl-1,3-benzoxazol-2-yl)methanol (CID 22062842) is (5-phenyl-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (5-phenyl-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (5-phenyl-1,3-benzoxazol-2-yl)methanol is OCc1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of (5-phenyl-1,3-benzoxazol-2-yl)methanol?
The InChIKey is PKLWJXRYFYWBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-9-14-15-12-8-11(6-7-13(12)17-14)10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of (5-phenyl-1,3-benzoxazol-2-yl)methanol?
(5-phenyl-1,3-benzoxazol-2-yl)methanol has a molecular weight of 225.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 22062842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).