2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid

C12H18N2O3 — CID 115085339

IUPAC2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid
SMILESCCN1CCC(Cc2ncc(CC(=O)O)o2)C1
InChIInChI=1S/C12H18N2O3/c1-2-14-4-3-9(8-14)5-11-13-7-10(17-11)6-12(15)16/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyIWSQZOJNJKGGRA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid

2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid (PubChem CID 115085339) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid
PubChem CID115085339
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid
SMILESCCN1CCC(Cc2ncc(CC(=O)O)o2)C1
InChIInChI=1S/C12H18N2O3/c1-2-14-4-3-9(8-14)5-11-13-7-10(17-11)6-12(15)16/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyIWSQZOJNJKGGRA-UHFFFAOYSA-N
XLogP1.19
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid (CID 115085339) is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid is CCN1CCC(Cc2ncc(CC(=O)O)o2)C1.
What is the InChIKey of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid?
The InChIKey is IWSQZOJNJKGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-14-4-3-9(8-14)5-11-13-7-10(17-11)6-12(15)16/h7,9H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid?
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 115085339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).