5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C9H13NO3 — CID 105440485

IUPAC5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C2CCCC2)C1
InChIInChI=1S/C9H13NO3/c11-9(12)7-5-8(13-10-7)6-3-1-2-4-6/h6,8H,1-5H2,(H,11,12)
InChIKeyVSCNHWROTYIWCJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.41
Rot. Bonds2

About 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 105440485) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID105440485
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C2CCCC2)C1
InChIInChI=1S/C9H13NO3/c11-9(12)7-5-8(13-10-7)6-3-1-2-4-6/h6,8H,1-5H2,(H,11,12)
InChIKeyVSCNHWROTYIWCJ-UHFFFAOYSA-N
XLogP1.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 66832151
5-cyclopentyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 134260939
5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105428413
(3aR,9aR)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole-3-carboxylic acid
CID 7160875
5-(oxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427010
5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105459853
5-(3-aminopyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427081
5-(4-propan-2-ylazepane-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427251
5-(1,1-dioxo-1,4-thiazepane-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114083640
5-(3-tert-butylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427491
5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427598
5-[3-(ethylamino)propylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426838

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 105440485) is 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C2CCCC2)C1.
What is the InChIKey of 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is VSCNHWROTYIWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-9(12)7-5-8(13-10-7)6-3-1-2-4-6/h6,8H,1-5H2,(H,11,12).
What are the key properties of 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105440485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).