2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid

C7H10N2O3 — CID 83384278

IUPAC2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(CCN)nc1C(=O)O
InChIInChI=1S/C7H10N2O3/c1-4-6(7(10)11)9-5(12-4)2-3-8/h2-3,8H2,1H3,(H,10,11)
InChIKeyPVTOOCKPHBIKNC-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.18
Rot. Bonds3

About 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 83384278) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID83384278
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(CCN)nc1C(=O)O
InChIInChI=1S/C7H10N2O3/c1-4-6(7(10)11)9-5(12-4)2-3-8/h2-3,8H2,1H3,(H,10,11)
InChIKeyPVTOOCKPHBIKNC-UHFFFAOYSA-N
XLogP0.18
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethyl-1,3-oxazole-4-carboxylic acid
CID 2795465
2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid
CID 2775651
2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic acid
CID 13835317
2-Cyclopropyl-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233175
2-(Aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid hydrochloride
CID 91758172
4-Oxazolecarboxylicacid,2-ethyl-5-(trifluoromethyl)-
CID 57749173
2-(Fluoromethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 118435528
Ethane;2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 145565710
5-Methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid
CID 62232816
5-Methyl-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 65713434
2-(Aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 71417182
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 83381975

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 83384278) is 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(CCN)nc1C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is PVTOOCKPHBIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-6(7(10)11)9-5(12-4)2-3-8/h2-3,8H2,1H3,(H,10,11).
What are the key properties of 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 83384278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).