3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C14H13FN2O4 — CID 107369608

IUPAC3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C14H13FN2O4/c1-8(6-9-2-4-10(15)5-3-9)16-13(18)11-7-12(14(19)20)21-17-11/h2-5,7-8H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyLQSJEIIGWVIFIP-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.87
Rot. Bonds5

About 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369608) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369608
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C14H13FN2O4/c1-8(6-9-2-4-10(15)5-3-9)16-13(18)11-7-12(14(19)20)21-17-11/h2-5,7-8H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyLQSJEIIGWVIFIP-UHFFFAOYSA-N
XLogP1.87
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(3,4-dihydroxyphenyl)propan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 86798513

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369608) is 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid is CC(Cc1ccc(F)cc1)NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is LQSJEIIGWVIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8(6-9-2-4-10(15)5-3-9)16-13(18)11-7-12(14(19)20)21-17-11/h2-5,7-8H,6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).