2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid

C15H11NO4 — CID 162644768

IUPAC2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)oc2c(-c3ccccc3)cccc21
InChIInChI=1S/C15H11NO4/c17-13(18)9-16-12-8-4-7-11(14(12)20-15(16)19)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyQQZDLKUPNVLOEV-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid

2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid (PubChem CID 162644768) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid
PubChem CID162644768
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)oc2c(-c3ccccc3)cccc21
InChIInChI=1S/C15H11NO4/c17-13(18)9-16-12-8-4-7-11(14(12)20-15(16)19)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyQQZDLKUPNVLOEV-UHFFFAOYSA-N
XLogP2.35
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
(2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
CID 737119
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
3-[2-(Methylphenylamino)-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]benzoxazole-2(3H)-one
CID 70693298
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid (CID 162644768) is 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid is O=C(O)Cn1c(=O)oc2c(-c3ccccc3)cccc21.
What is the InChIKey of 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid?
The InChIKey is QQZDLKUPNVLOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-13(18)9-16-12-8-4-7-11(14(12)20-15(16)19)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid?
2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid has a molecular weight of 269.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)acetic acid is sourced from PubChem (CID 162644768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).