2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid

C11H10FNO3 — CID 115060762

IUPAC2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)11-13-6-9(16-11)5-10(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyGQTGVOYLPCMWDY-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.45
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid

2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid (PubChem CID 115060762) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
PubChem CID115060762
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)11-13-6-9(16-11)5-10(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyGQTGVOYLPCMWDY-UHFFFAOYSA-N
XLogP1.45
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
[(4S,5S)-5-ethenyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 44394839
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
ethyl 2-(2-fluorophenyl)-5-oxo-4H-1,3-oxazole-4-carboxylate
CID 83547776

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid (CID 115060762) is 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid is O=C(O)CC1CN=C(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid?
The InChIKey is GQTGVOYLPCMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)11-13-6-9(16-11)5-10(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid?
2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid has a molecular weight of 223.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 115060762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).