2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid

C10H13NO3 — CID 62234263

IUPAC2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CC2CCCC2)n1
InChIInChI=1S/C10H13NO3/c12-10(13)8-6-14-9(11-8)5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13)
InChIKeyPYQHCIXUFWVINV-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.11
Rot. Bonds3

About 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid

2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62234263) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62234263
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CC2CCCC2)n1
InChIInChI=1S/C10H13NO3/c12-10(13)8-6-14-9(11-8)5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13)
InChIKeyPYQHCIXUFWVINV-UHFFFAOYSA-N
XLogP2.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-[(1,1-dioxothian-3-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083491
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
2-(thian-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115083332
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-propan-2-ylazepan-1-yl]methanone
CID 124841835
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124626454
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid (CID 62234263) is 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is PYQHCIXUFWVINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)8-6-14-9(11-8)5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13).
What are the key properties of 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid?
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62234263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).