1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid

C15H13FN2O4 — CID 154844847

IUPAC1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ncoc2-c2ccccc2F)C1
InChIInChI=1S/C15H13FN2O4/c16-11-4-2-1-3-10(11)13-12(17-8-22-13)14(19)18-6-5-9(7-18)15(20)21/h1-4,8-9H,5-7H2,(H,20,21)
InChIKeyFKYOGUXSKHMORX-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.03
Rot. Bonds3

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

1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 154844847) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID154844847
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ncoc2-c2ccccc2F)C1
InChIInChI=1S/C15H13FN2O4/c16-11-4-2-1-3-10(11)13-12(17-8-22-13)14(19)18-6-5-9(7-18)15(20)21/h1-4,8-9H,5-7H2,(H,20,21)
InChIKeyFKYOGUXSKHMORX-UHFFFAOYSA-N
XLogP2.03
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355297
(3R)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124696527
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415634
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
1-(2,3-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030779
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[(3S)-3-aminopiperidin-1-yl]-[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanone
CID 124593259
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 154844847) is 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ncoc2-c2ccccc2F)C1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FKYOGUXSKHMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-11-4-2-1-3-10(11)13-12(17-8-22-13)14(19)18-6-5-9(7-18)15(20)21/h1-4,8-9H,5-7H2,(H,20,21).
What are the key properties of 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154844847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).