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

C10H13NO3 — CID 83637343

IUPAC4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1C1CCCC1
InChIInChI=1S/C10H13NO3/c1-6-8(7-4-2-3-5-7)9(10(12)13)11-14-6/h7H,2-5H2,1H3,(H,12,13)
InChIKeyDJQIHNRVNUOZTO-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.34
Rot. Bonds2

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

4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 83637343) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID83637343
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1C1CCCC1
InChIInChI=1S/C10H13NO3/c1-6-8(7-4-2-3-5-7)9(10(12)13)11-14-6/h7H,2-5H2,1H3,(H,12,13)
InChIKeyDJQIHNRVNUOZTO-UHFFFAOYSA-N
XLogP2.34
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105464783
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
CID 84678934
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid
CID 174891313
3-methyl-4-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CID 105464779
3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid
CID 105463920
5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 51673725
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 22494322
4-(bromomethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 166604179

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid (CID 83637343) is 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid is Cc1onc(C(=O)O)c1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is DJQIHNRVNUOZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-8(7-4-2-3-5-7)9(10(12)13)11-14-6/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid?
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83637343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).