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

C11H10FNO3 — CID 84688130

IUPAC2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)CC1=NCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)9-6-13-10(16-9)5-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyLHTKCDJMLQJSCV-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.77
Rot. Bonds3

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

2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (PubChem CID 84688130) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
PubChem CID84688130
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)CC1=NCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)9-6-13-10(16-9)5-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyLHTKCDJMLQJSCV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
(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)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
CID 719469
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
methyl (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 52921124
Tert-butyl 2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 102573354
Tert-butyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 135077542
Tert-butyl 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 135077543
Benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate
CID 162418646
(4S)-2-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 53377459

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (CID 84688130) is 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is O=C(O)CC1=NCC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The InChIKey is LHTKCDJMLQJSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)9-6-13-10(16-9)5-11(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid has a molecular weight of 223.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84688130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).