5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid

C14H21NO3 — CID 113390704

IUPAC5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCCC(CC)c1noc(C2CCCC2)c1C(=O)O
InChIInChI=1S/C14H21NO3/c1-3-9(4-2)12-11(14(16)17)13(18-15-12)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyKVHHCYUFFLQLOQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds5

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

5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 113390704) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID113390704
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCCC(CC)c1noc(C2CCCC2)c1C(=O)O
InChIInChI=1S/C14H21NO3/c1-3-9(4-2)12-11(14(16)17)13(18-15-12)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyKVHHCYUFFLQLOQ-UHFFFAOYSA-N
XLogP3.93
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821236
3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
CID 105439905
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752
3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 114207942
5-ethyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 45156397
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazole-4-carboxylic acid
CID 134284326
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid (CID 113390704) is 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid is CCC(CC)c1noc(C2CCCC2)c1C(=O)O.
What is the InChIKey of 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is KVHHCYUFFLQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-9(4-2)12-11(14(16)17)13(18-15-12)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid?
5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 113390704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).