5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid

C23H20N2O5 — CID 146081144

IUPAC5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20N2O5/c26-22(27)20-21(30-13-24-20)19-10-5-11-25(19)23(28)29-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,13,18-19H,5,10-12H2,(H,26,27)
InChIKeyFKYYJJCXDVAOJF-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.46
Rot. Bonds4

About 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid

5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 146081144) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID146081144
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20N2O5/c26-22(27)20-21(30-13-24-20)19-10-5-11-25(19)23(28)29-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,13,18-19H,5,10-12H2,(H,26,27)
InChIKeyFKYYJJCXDVAOJF-UHFFFAOYSA-N
XLogP4.46
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyrrolidine-1-carboxylate;methyl 5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylate
CID 161017146
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
CID 165452018
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808

Frequently Asked Questions

What is the IUPAC name of 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid (CID 146081144) is 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is FKYYJJCXDVAOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c26-22(27)20-21(30-13-24-20)19-10-5-11-25(19)23(28)29-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,13,18-19H,5,10-12H2,(H,26,27).
What are the key properties of 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 404.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 146081144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).