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

C17H22N2O — CID 103275167

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCCc1cnc(CNC2CC(c3cccc(C)c3)C2)o1
InChIInChI=1S/C17H22N2O/c1-3-16-10-19-17(20-16)11-18-15-8-14(9-15)13-6-4-5-12(2)7-13/h4-7,10,14-15,18H,3,8-9,11H2,1-2H3
InChIKeyQDEFMJNHZWJRSG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds5

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 103275167) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID103275167
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCCc1cnc(CNC2CC(c3cccc(C)c3)C2)o1
InChIInChI=1S/C17H22N2O/c1-3-16-10-19-17(20-16)11-18-15-8-14(9-15)13-6-4-5-12(2)7-13/h4-7,10,14-15,18H,3,8-9,11H2,1-2H3
InChIKeyQDEFMJNHZWJRSG-UHFFFAOYSA-N
XLogP3.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
CID 106369065
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 82731725
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 103096808
3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305425
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 63831294
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106395110
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
3-(3-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895117

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine (CID 103275167) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine is CCc1cnc(CNC2CC(c3cccc(C)c3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is QDEFMJNHZWJRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-16-10-19-17(20-16)11-18-15-8-14(9-15)13-6-4-5-12(2)7-13/h4-7,10,14-15,18H,3,8-9,11H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 103275167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).