3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine

C16H19ClN2O — CID 106369065

IUPAC3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCc1cnc(CNC2CC(c3ccccc3Cl)C2)o1
InChIInChI=1S/C16H19ClN2O/c1-2-13-9-19-16(20-13)10-18-12-7-11(8-12)14-5-3-4-6-15(14)17/h3-6,9,11-12,18H,2,7-8,10H2,1H3
InChIKeyZCHZMUBASSJDGX-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine

3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 106369065) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID106369065
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCc1cnc(CNC2CC(c3ccccc3Cl)C2)o1
InChIInChI=1S/C16H19ClN2O/c1-2-13-9-19-16(20-13)10-18-12-7-11(8-12)14-5-3-4-6-15(14)17/h3-6,9,11-12,18H,2,7-8,10H2,1H3
InChIKeyZCHZMUBASSJDGX-UHFFFAOYSA-N
XLogP3.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine 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

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
CID 52624943
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
(1S)-1-(3-chloro-4-fluorophenyl)-1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 164639907
N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 130218010
N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 102609850
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 102672932
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 103096716
1-(2-chloro-4-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096720
1-(4-chloro-3-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096764
3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
CID 103096789
1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 103096795
1-(2-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096802

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine (CID 106369065) is 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine is CCc1cnc(CNC2CC(c3ccccc3Cl)C2)o1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZCHZMUBASSJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-13-9-19-16(20-13)10-18-12-7-11(8-12)14-5-3-4-6-15(14)17/h3-6,9,11-12,18H,2,7-8,10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 106369065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).