5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid

C13H20N2O3 — CID 114126003

IUPAC5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC1(CNCc2cc(C(=O)O)no2)CCCC1
InChIInChI=1S/C13H20N2O3/c1-2-13(5-3-4-6-13)9-14-8-10-7-11(12(16)17)15-18-10/h7,14H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyPREROLOEFVUBFE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.43
Rot. Bonds6

About 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 114126003) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID114126003
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC1(CNCc2cc(C(=O)O)no2)CCCC1
InChIInChI=1S/C13H20N2O3/c1-2-13(5-3-4-6-13)9-14-8-10-7-11(12(16)17)15-18-10/h7,14H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyPREROLOEFVUBFE-UHFFFAOYSA-N
XLogP2.43
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-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

5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106102548
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103238431
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495
1-[(1-ethylcyclobutyl)methyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
CID 109469183
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
1-[2-[(1-ethylcyclopentyl)methylamino]ethyl]triazole-4-carboxylic acid
CID 114126015
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246776

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 114126003) is 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is CCC1(CNCc2cc(C(=O)O)no2)CCCC1.
What is the InChIKey of 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is PREROLOEFVUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-13(5-3-4-6-13)9-14-8-10-7-11(12(16)17)15-18-10/h7,14H,2-6,8-9H2,1H3,(H,16,17).
What are the key properties of 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylcyclopentyl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 114126003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).