methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate

C8H12N2O3 — CID 105441021

IUPACmethyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(CCCN)o1
InChIInChI=1S/C8H12N2O3/c1-12-8(11)6-5-10-7(13-6)3-2-4-9/h5H,2-4,9H2,1H3
InChIKeyOAHHAPUQAOFERU-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.35
Rot. Bonds4

About methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate

methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate (PubChem CID 105441021) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
PubChem CID105441021
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(CCCN)o1
InChIInChI=1S/C8H12N2O3/c1-12-8(11)6-5-10-7(13-6)3-2-4-9/h5H,2-4,9H2,1H3
InChIKeyOAHHAPUQAOFERU-UHFFFAOYSA-N
XLogP0.35
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate (CID 105441021) is methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate is COC(=O)c1cnc(CCCN)o1.
What is the InChIKey of methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is OAHHAPUQAOFERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-8(11)6-5-10-7(13-6)3-2-4-9/h5H,2-4,9H2,1H3.
What are the key properties of methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate?
methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 105441021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).