5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid

C11H10N2O3 — CID 150308140

IUPAC5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
SMILESNCc1cccc(-c2oncc2C(=O)O)c1
InChIInChI=1S/C11H10N2O3/c12-5-7-2-1-3-8(4-7)10-9(11(14)15)6-13-16-10/h1-4,6H,5,12H2,(H,14,15)
InChIKeyGLAUEXRHECMZCC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.50
Rot. Bonds3

About 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid

5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 150308140) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
PubChem CID150308140
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
SMILESNCc1cccc(-c2oncc2C(=O)O)c1
InChIInChI=1S/C11H10N2O3/c12-5-7-2-1-3-8(4-7)10-9(11(14)15)6-13-16-10/h1-4,6H,5,12H2,(H,14,15)
InChIKeyGLAUEXRHECMZCC-UHFFFAOYSA-N
XLogP1.50
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 75356057
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585
5-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxylic acid
CID 114317835
6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 82556225
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
4-hydroxy-1-(5-phenyl-1,2-oxazol-4-yl)butan-1-one
CID 54134483
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid (CID 150308140) is 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid is NCc1cccc(-c2oncc2C(=O)O)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is GLAUEXRHECMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-5-7-2-1-3-8(4-7)10-9(11(14)15)6-13-16-10/h1-4,6H,5,12H2,(H,14,15).
What are the key properties of 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid?
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 150308140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).