3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C10H11FN2O4 — CID 119259700

IUPAC3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ncoc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H11FN2O4/c1-6-7(17-5-12-6)8(14)13-3-2-10(11,4-13)9(15)16/h5H,2-4H2,1H3,(H,15,16)
InChIKeyPUNHTQXSNJZFDA-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.62
Rot. Bonds2

About 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119259700) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119259700
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ncoc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H11FN2O4/c1-6-7(17-5-12-6)8(14)13-3-2-10(11,4-13)9(15)16/h5H,2-4H2,1H3,(H,15,16)
InChIKeyPUNHTQXSNJZFDA-UHFFFAOYSA-N
XLogP0.62
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Methoxymethyl)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 110203571
(3R)-3,4,4-trimethyl-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-pyrrolidinol
CID 72864668
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
trimethyl-[(2R)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium
CID 87558165
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 71494638
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81621099
2-[(4-Methyl-1,3-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81621390
1-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81622210
1-(4-Methyl-1,3-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81622440
1-[(5-Methyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81952073
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
CID 103915428
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107482514

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 119259700) is 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ncoc1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PUNHTQXSNJZFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-6-7(17-5-12-6)8(14)13-3-2-10(11,4-13)9(15)16/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).