2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid

C16H10FNO5 — CID 11723196

IUPAC2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2cc(C(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C16H10FNO5/c17-11-3-1-2-9(6-11)15(21)10-4-5-12-13(7-10)23-16(22)18(12)8-14(19)20/h1-7H,8H2,(H,19,20)
InChIKeyPIIUPSUTCIKHFT-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.05
Rot. Bonds4

About 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid

2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid (PubChem CID 11723196) has the molecular formula C16H10FNO5 and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
PubChem CID11723196
Molecular FormulaC16H10FNO5
Molecular Weight315.26 g/mol
Exact Mass315.05
IUPAC Name2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2cc(C(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C16H10FNO5/c17-11-3-1-2-9(6-11)15(21)10-4-5-12-13(7-10)23-16(22)18(12)8-14(19)20/h1-7H,8H2,(H,19,20)
InChIKeyPIIUPSUTCIKHFT-UHFFFAOYSA-N
XLogP2.05
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
CID 3062964
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 11680081
3-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 5249143
3-[6-(4-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanenitrile
CID 10638668
3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorobenzoyl)-1,3-benzoxazol-2-one
CID 10389998
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-(2,6-difluorobenzoyl)-1,3-benzoxazol-2-one
CID 10074949
2-[2-(3-fluorobenzoyl)pyrrol-1-yl]acetic acid
CID 53212675
6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173
6-(4-methoxybenzoyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 10071443
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid (CID 11723196) is 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid is O=C(O)Cn1c(=O)oc2cc(C(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
The InChIKey is PIIUPSUTCIKHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO5/c17-11-3-1-2-9(6-11)15(21)10-4-5-12-13(7-10)23-16(22)18(12)8-14(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid?
2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid has a molecular weight of 315.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid is sourced from PubChem (CID 11723196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).