4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid

C10H14N2O3 — CID 117216240

IUPAC4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1CNC1CCCC1
InChIInChI=1S/C10H14N2O3/c13-10(14)9-7(6-12-15-9)5-11-8-3-1-2-4-8/h6,8,11H,1-5H2,(H,13,14)
InChIKeyZALJFHOILPYOFC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.40
Rot. Bonds4

About 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid

4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117216240) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117216240
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1CNC1CCCC1
InChIInChI=1S/C10H14N2O3/c13-10(14)9-7(6-12-15-9)5-11-8-3-1-2-4-8/h6,8,11H,1-5H2,(H,13,14)
InChIKeyZALJFHOILPYOFC-UHFFFAOYSA-N
XLogP1.40
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(cyclopentylamino)methyl]-1,2-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

4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
CID 117216786
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
3-[(cyclohexylamino)methyl]thiophene-2-carboxylic acid
CID 103230831
2-chloro-5-[(cyclopentylamino)methyl]benzoic acid
CID 117221558
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
3-[[(1,1-dioxothian-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103251395
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338
5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
CID 117213219
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447
3-bromo-4-[(cycloheptylamino)methyl]benzoic acid
CID 103237239
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid (CID 117216240) is 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1oncc1CNC1CCCC1.
What is the InChIKey of 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZALJFHOILPYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)9-7(6-12-15-9)5-11-8-3-1-2-4-8/h6,8,11H,1-5H2,(H,13,14).
What are the key properties of 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid?
4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117216240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).