2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C10H8FNO3 — CID 82369315

IUPAC2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyIKUBNLCQRHUPQR-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.06
Rot. Bonds2

About 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 82369315) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID82369315
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyIKUBNLCQRHUPQR-UHFFFAOYSA-N
XLogP1.06
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-benzyl-L-serine
CID 78457
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
O-Benzyl-D-serine
CID 112114
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
O-(Phenylmethyl)serine
CID 4573
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
Methyl-2-(2'-hydroxyphenyl)-2-oxazoline-
CID 135623861
2-(4-fluorophenyl)-N-hydroxy-4,5-dihydrooxazole-4-carboxamide
CID 44336181

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 82369315) is 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)C1COC(c2ccc(F)cc2)=N1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is IKUBNLCQRHUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82369315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).