2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid

C16H11NO5 — CID 3059537

IUPAC2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H11NO5/c18-14(19)9-17-12-7-6-11(8-13(12)22-16(17)21)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeySTYVFAJZYWZCRR-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.91
Rot. Bonds4

About 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid

2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid (PubChem CID 3059537) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
PubChem CID3059537
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H11NO5/c18-14(19)9-17-12-7-6-11(8-13(12)22-16(17)21)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeySTYVFAJZYWZCRR-UHFFFAOYSA-N
XLogP1.91
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The IUPAC name of 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid (CID 3059537) is 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The canonical SMILES for 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid is O=C(O)Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The InChIKey is STYVFAJZYWZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c18-14(19)9-17-12-7-6-11(8-13(12)22-16(17)21)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid has a molecular weight of 297.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid is sourced from PubChem (CID 3059537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).