1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid

C13H14N2O4 — CID 43441750

IUPAC1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H14N2O4/c16-13(17)10-3-1-5-15(10)8-9-7-12(19-14-9)11-4-2-6-18-11/h2,4,6-7,10H,1,3,5,8H2,(H,16,17)
InChIKeyIMUOJNQTGPTUBN-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.98
Rot. Bonds4

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441750) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID43441750
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H14N2O4/c16-13(17)10-3-1-5-15(10)8-9-7-12(19-14-9)11-4-2-6-18-11/h2,4,6-7,10H,1,3,5,8H2,(H,16,17)
InChIKeyIMUOJNQTGPTUBN-UHFFFAOYSA-N
XLogP1.98
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
CID 82906602
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]methanol
CID 60685086
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64564317
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(3R)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94343776
(3S,4S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953932
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid (CID 43441750) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1cc(-c2ccco2)on1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IMUOJNQTGPTUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-13(17)10-3-1-5-15(10)8-9-7-12(19-14-9)11-4-2-6-18-11/h2,4,6-7,10H,1,3,5,8H2,(H,16,17).
What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).