2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone

C16H13NO4 — CID 149261528

IUPAC2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
SMILESCOc1ccc(-c2nc3ccc(C(=O)CO)cc3o2)cc1
InChIInChI=1S/C16H13NO4/c1-20-12-5-2-10(3-6-12)16-17-13-7-4-11(14(19)9-18)8-15(13)21-16/h2-8,18H,9H2,1H3
InChIKeyXPICJYOCNVLXHJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.68
Rot. Bonds4

About 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone

2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone (PubChem CID 149261528) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
PubChem CID149261528
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
SMILESCOc1ccc(-c2nc3ccc(C(=O)CO)cc3o2)cc1
InChIInChI=1S/C16H13NO4/c1-20-12-5-2-10(3-6-12)16-17-13-7-4-11(14(19)9-18)8-15(13)21-16/h2-8,18H,9H2,1H3
InChIKeyXPICJYOCNVLXHJ-UHFFFAOYSA-N
XLogP2.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
3-methyl-1-(2-phenyl-1,3-benzoxazol-6-yl)butan-1-one
CID 67466384
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide
CID 22300593
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone (CID 149261528) is 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone is COc1ccc(-c2nc3ccc(C(=O)CO)cc3o2)cc1.
What is the InChIKey of 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone?
The InChIKey is XPICJYOCNVLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-12-5-2-10(3-6-12)16-17-13-7-4-11(14(19)9-18)8-15(13)21-16/h2-8,18H,9H2,1H3.
What are the key properties of 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone?
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone has a molecular weight of 283.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone is sourced from PubChem (CID 149261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).