acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane

C16H16FNO3 — CID 175273673

IUPACacetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
SMILESC.CC(=O)O.Fc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H8FNO.C2H4O2.CH4/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;1-2(3)4;/h1-8H;1H3,(H,3,4);1H4
InChIKeySZYPJDRWXUOYSI-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.36
Rot. Bonds1

About acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane

acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane (PubChem CID 175273673) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane.

Molecular Properties

Compound Nameacetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
PubChem CID175273673
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameacetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
SMILESC.CC(=O)O.Fc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H8FNO.C2H4O2.CH4/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;1-2(3)4;/h1-8H;1H3,(H,3,4);1H4
InChIKeySZYPJDRWXUOYSI-UHFFFAOYSA-N
XLogP4.36
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
CID 171736377
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 10815304
2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-1,3-benzoxazole
CID 91680069
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 167932541
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane?
The IUPAC name of acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane (CID 175273673) is acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane.
What is the SMILES notation for acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane?
The canonical SMILES for acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane is C.CC(=O)O.Fc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane?
The InChIKey is SZYPJDRWXUOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO.C2H4O2.CH4/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;1-2(3)4;/h1-8H;1H3,(H,3,4);1H4.
What are the key properties of acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane?
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane has a molecular weight of 289.31 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane is sourced from PubChem (CID 175273673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).