ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate

C9H14N2O3 — CID 12981947

IUPACethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C(C)N)nc1C
InChIInChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10/h5H,4,10H2,1-3H3
InChIKeyFPRROMGKAODOOB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.18
Rot. Bonds3

About ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate

ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 12981947) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID12981947
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C(C)N)nc1C
InChIInChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10/h5H,4,10H2,1-3H3
InChIKeyFPRROMGKAODOOB-UHFFFAOYSA-N
XLogP1.18
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate (CID 12981947) is ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C(C)N)nc1C.
What is the InChIKey of ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is FPRROMGKAODOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10/h5H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate?
ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 12981947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).