2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

C15H23NO3 — CID 114374693

IUPAC2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)Cc1nc(CCC2CCCC2)oc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyJJFOTLUGCOKPNZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.69
Rot. Bonds6

About 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374693) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374693
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)Cc1nc(CCC2CCCC2)oc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyJJFOTLUGCOKPNZ-UHFFFAOYSA-N
XLogP3.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 82219993
2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374559
4-(2-methylpropyl)-2-(oxan-4-yl)-1,3-oxazole-5-carboxylic acid
CID 114374696
2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 103167347
2-(1-methoxyethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374798
4-(2-methylpropyl)-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374651
4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid
CID 115059898
2-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 43148598
ethyl 2-(3-methoxybutyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372629
2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373124
N-[[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137045
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069552

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (CID 114374693) is 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is CC(C)Cc1nc(CCC2CCCC2)oc1C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is JJFOTLUGCOKPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).