N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine

C15H18ClN3O — CID 66181515

IUPACN-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CNC1
InChIInChI=1S/C15H18ClN3O/c1-2-19(14-7-17-8-14)9-13-10-20-15(18-13)11-3-5-12(16)6-4-11/h3-6,10,14,17H,2,7-9H2,1H3
InChIKeyCRZLGWIXMMITAR-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.79
Rot. Bonds5

About N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine

N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine (PubChem CID 66181515) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
PubChem CID66181515
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CNC1
InChIInChI=1S/C15H18ClN3O/c1-2-19(14-7-17-8-14)9-13-10-20-15(18-13)11-3-5-12(16)6-4-11/h3-6,10,14,17H,2,7-9H2,1H3
InChIKeyCRZLGWIXMMITAR-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
CID 102676563
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444124
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 63297902
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
N-ethyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]azetidin-3-amine
CID 66181500
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone;hydrochloride
CID 120658276
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119206351
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921783

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine (CID 66181515) is N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine is CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CNC1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine?
The InChIKey is CRZLGWIXMMITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-19(14-7-17-8-14)9-13-10-20-15(18-13)11-3-5-12(16)6-4-11/h3-6,10,14,17H,2,7-9H2,1H3.
What are the key properties of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine?
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine has a molecular weight of 291.78 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).