(2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone

C21H15NO3 — CID 44577969

IUPAC(2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2ccc3onc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C21H15NO3/c1-13-7-9-18(23)16(11-13)21(24)15-8-10-19-17(12-15)20(22-25-19)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyQACGBWILVCLGAX-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.74
Rot. Bonds3

About (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone

(2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone (PubChem CID 44577969) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone
PubChem CID44577969
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2ccc3onc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C21H15NO3/c1-13-7-9-18(23)16(11-13)21(24)15-8-10-19-17(12-15)20(22-25-19)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyQACGBWILVCLGAX-UHFFFAOYSA-N
XLogP4.74
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone (CID 44577969) is (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone is Cc1ccc(O)c(C(=O)c2ccc3onc(-c4ccccc4)c3c2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone?
The InChIKey is QACGBWILVCLGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-13-7-9-18(23)16(11-13)21(24)15-8-10-19-17(12-15)20(22-25-19)14-5-3-2-4-6-14/h2-12,23H,1H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone?
(2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(3-phenyl-1,2-benzoxazol-5-yl)methanone is sourced from PubChem (CID 44577969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).