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

C22H19ClN2O — CID 56658337

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine
SMILESCCN(Cc1coc(-c2ccccc2Cl)n1)c1cccc2ccccc12
InChIInChI=1S/C22H19ClN2O/c1-2-25(21-13-7-9-16-8-3-4-10-18(16)21)14-17-15-26-22(24-17)19-11-5-6-12-20(19)23/h3-13,15H,2,14H2,1H3
InChIKeyASYNDPYUOWPJMD-UHFFFAOYSA-N
MW362.86 g/mol
LogP6.17
Rot. Bonds5

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

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine (PubChem CID 56658337) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine
PubChem CID56658337
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine
SMILESCCN(Cc1coc(-c2ccccc2Cl)n1)c1cccc2ccccc12
InChIInChI=1S/C22H19ClN2O/c1-2-25(21-13-7-9-16-8-3-4-10-18(16)21)14-17-15-26-22(24-17)19-11-5-6-12-20(19)23/h3-13,15H,2,14H2,1H3
InChIKeyASYNDPYUOWPJMD-UHFFFAOYSA-N
XLogP6.17
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine (CID 56658337) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine is CCN(Cc1coc(-c2ccccc2Cl)n1)c1cccc2ccccc12.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine?
The InChIKey is ASYNDPYUOWPJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-2-25(21-13-7-9-16-8-3-4-10-18(16)21)14-17-15-26-22(24-17)19-11-5-6-12-20(19)23/h3-13,15H,2,14H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine has a molecular weight of 362.86 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine is sourced from PubChem (CID 56658337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).