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

C16H13NO3 — CID 44577968

IUPAC(2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2ccc3onc(C)c3c2)c1
InChIInChI=1S/C16H13NO3/c1-9-3-5-14(18)13(7-9)16(19)11-4-6-15-12(8-11)10(2)17-20-15/h3-8,18H,1-2H3
InChIKeyKQDJOLGQNOWYLR-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.38
Rot. Bonds2

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

(2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone (PubChem CID 44577968) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone
PubChem CID44577968
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)c2ccc3onc(C)c3c2)c1
InChIInChI=1S/C16H13NO3/c1-9-3-5-14(18)13(7-9)16(19)11-4-6-15-12(8-11)10(2)17-20-15/h3-8,18H,1-2H3
InChIKeyKQDJOLGQNOWYLR-UHFFFAOYSA-N
XLogP3.38
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.38
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-methyl-1,2-benzoxazol-5-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone (CID 44577968) is (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone is Cc1ccc(O)c(C(=O)c2ccc3onc(C)c3c2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone?
The InChIKey is KQDJOLGQNOWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9-3-5-14(18)13(7-9)16(19)11-4-6-15-12(8-11)10(2)17-20-15/h3-8,18H,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone?
(2-hydroxy-5-methylphenyl)-(3-methyl-1,2-benzoxazol-5-yl)methanone has a molecular weight of 267.28 g/mol, XLogP of 3.38, 2 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-methyl-1,2-benzoxazol-5-yl)methanone is sourced from PubChem (CID 44577968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).