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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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).