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

C8H12N2O3 — CID 115059898

IUPAC4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(CN)c(C(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-2-3-6-10-5(4-9)7(13-6)8(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyYTGLYLMHXOCEDU-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.78
Rot. Bonds4

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

4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 115059898) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID115059898
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(CN)c(C(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-2-3-6-10-5(4-9)7(13-6)8(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyYTGLYLMHXOCEDU-UHFFFAOYSA-N
XLogP0.78
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl-1,3-oxazole-5-carboxylic acid
CID 1132979
2-Ethyl-4-methyl-1,3-oxazole-5-carboxylic acid
CID 13835298
2-Cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid
CID 64982640
4-Methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 64982642
2-[(Tert-butoxy)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 112605838
Ethyl 2-(1-aminoethyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 12981947
4-Methyl-2-propyl-5-oxazolecarboxylic acid
CID 13835299
4-Methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 64982818
2-({[(Tert-butoxy)carbonyl]amino}methyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 154853416
2-[2-(Dimethylamino)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 169167454
4-(Difluoromethyl)-2-(2-isocyanopropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 169308384
Lithium 2-methanidyl-4-methyl-1,3-oxazole-5-carboxylic acid
CID 135050968

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid (CID 115059898) is 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(CN)c(C(=O)O)o1.
What is the InChIKey of 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YTGLYLMHXOCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-3-6-10-5(4-9)7(13-6)8(11)12/h2-4,9H2,1H3,(H,11,12).
What are the key properties of 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid?
4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 115059898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).