5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid

C9H11NO4 — CID 16767303

IUPAC5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2(O)CCCC2)on1
InChIInChI=1S/C9H11NO4/c11-8(12)6-5-7(14-10-6)9(13)3-1-2-4-9/h5,13H,1-4H2,(H,11,12)
InChIKeyVHFYOQNGHUWEMI-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.13
Rot. Bonds2

About 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid

5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 16767303) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid
PubChem CID16767303
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2(O)CCCC2)on1
InChIInChI=1S/C9H11NO4/c11-8(12)6-5-7(14-10-6)9(13)3-1-2-4-9/h5,13H,1-4H2,(H,11,12)
InChIKeyVHFYOQNGHUWEMI-UHFFFAOYSA-N
XLogP1.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid (CID 16767303) is 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(C2(O)CCCC2)on1.
What is the InChIKey of 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is VHFYOQNGHUWEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-8(12)6-5-7(14-10-6)9(13)3-1-2-4-9/h5,13H,1-4H2,(H,11,12).
What are the key properties of 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid?
5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxycyclopentyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 16767303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).