4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid

C9H14N2O3 — CID 115059896

IUPAC4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CN)c(C(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-9(2,3)8-11-5(4-10)6(14-8)7(12)13/h4,10H2,1-3H3,(H,12,13)
InChIKeyDQNQEMFQAJRDPP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.13
Rot. Bonds2

About 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid

4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid (PubChem CID 115059896) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid
PubChem CID115059896
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CN)c(C(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-9(2,3)8-11-5(4-10)6(14-8)7(12)13/h4,10H2,1-3H3,(H,12,13)
InChIKeyDQNQEMFQAJRDPP-UHFFFAOYSA-N
XLogP1.13
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374559
4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid
CID 115059898
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039
3-(aminomethyl)-5-tert-butylfuran-2-carboxylic acid
CID 976763
2-tert-butyl-4-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115043050
ethyl 2-tert-butyl-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371351
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
2-[(2-methylpropan-2-yl)oxymethyl]-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373124
4-tert-butyl-2-methyl-1,3-oxazole-5-carboxylic acid
CID 82407333
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
CID 115012127
4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxylic acid
CID 114373081

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid (CID 115059896) is 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid is CC(C)(C)c1nc(CN)c(C(=O)O)o1.
What is the InChIKey of 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is DQNQEMFQAJRDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2,3)8-11-5(4-10)6(14-8)7(12)13/h4,10H2,1-3H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid?
4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 115059896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).