2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

C13H18N4O3 — CID 134710337

IUPAC2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCN(Cc1cnn(CC)c1)Cc1nc(C(=O)O)co1
InChIInChI=1S/C13H18N4O3/c1-3-16(6-10-5-14-17(4-2)7-10)8-12-15-11(9-20-12)13(18)19/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyXUQRYBMCBOKVBS-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.61
Rot. Bonds7

About 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 134710337) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID134710337
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCN(Cc1cnn(CC)c1)Cc1nc(C(=O)O)co1
InChIInChI=1S/C13H18N4O3/c1-3-16(6-10-5-14-17(4-2)7-10)8-12-15-11(9-20-12)13(18)19/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyXUQRYBMCBOKVBS-UHFFFAOYSA-N
XLogP1.61
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-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

4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[(1-ethylpyrazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276968
N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 77087518
1,4-diethylpyrazole;ethane
CID 143641951
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 167894290
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
CID 46989853
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid (CID 134710337) is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid is CCN(Cc1cnn(CC)c1)Cc1nc(C(=O)O)co1.
What is the InChIKey of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is XUQRYBMCBOKVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-16(6-10-5-14-17(4-2)7-10)8-12-15-11(9-20-12)13(18)19/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134710337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).