5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C10H16N2O4 — CID 103264538

IUPAC5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCC(C)(C)NCc1cc(C(=O)O)no1
InChIInChI=1S/C10H16N2O4/c1-10(2,6-15-3)11-5-7-4-8(9(13)14)12-16-7/h4,11H,5-6H2,1-3H3,(H,13,14)
InChIKeyLOBDHABXLFYDPG-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.89
Rot. Bonds6

About 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103264538) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103264538
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCC(C)(C)NCc1cc(C(=O)O)no1
InChIInChI=1S/C10H16N2O4/c1-10(2,6-15-3)11-5-7-4-8(9(13)14)12-16-7/h4,11H,5-6H2,1-3H3,(H,13,14)
InChIKeyLOBDHABXLFYDPG-UHFFFAOYSA-N
XLogP0.89
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415
N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115697426
methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
CID 115609386
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369966
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
5-[(4-iodoanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103236781
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 112586972
5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103233523
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631574
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103264538) is 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid is COCC(C)(C)NCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is LOBDHABXLFYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,6-15-3)11-5-7-4-8(9(13)14)12-16-7/h4,11H,5-6H2,1-3H3,(H,13,14).
What are the key properties of 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103264538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).