5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

C12H18N2O4 — CID 112753461

IUPAC5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN(CCO)C1CCCC1
InChIInChI=1S/C12H18N2O4/c15-6-5-14(9-3-1-2-4-9)8-11-10(12(16)17)7-13-18-11/h7,9,15H,1-6,8H2,(H,16,17)
InChIKeyUXFXPDHVVCHEGZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.11
Rot. Bonds6

About 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753461) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753461
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN(CCO)C1CCCC1
InChIInChI=1S/C12H18N2O4/c15-6-5-14(9-3-1-2-4-9)8-11-10(12(16)17)7-13-18-11/h7,9,15H,1-6,8H2,(H,16,17)
InChIKeyUXFXPDHVVCHEGZ-UHFFFAOYSA-N
XLogP1.11
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (CID 112753461) is 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1CN(CCO)C1CCCC1.
What is the InChIKey of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is UXFXPDHVVCHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-6-5-14(9-3-1-2-4-9)8-11-10(12(16)17)7-13-18-11/h7,9,15H,1-6,8H2,(H,16,17).
What are the key properties of 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).