N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine

C18H18ClN3O — CID 56662560

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN3O/c1-2-22(11-14-7-9-20-10-8-14)12-15-13-23-18(21-15)16-5-3-4-6-17(16)19/h3-10,13H,2,11-12H2,1H3
InChIKeyWZNBRBAKEMESPA-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.41
Rot. Bonds6

About N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 56662560) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID56662560
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN3O/c1-2-22(11-14-7-9-20-10-8-14)12-15-13-23-18(21-15)16-5-3-4-6-17(16)19/h3-10,13H,2,11-12H2,1H3
InChIKeyWZNBRBAKEMESPA-UHFFFAOYSA-N
XLogP4.41
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 56662560) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)Cc1coc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is WZNBRBAKEMESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-22(11-14-7-9-20-10-8-14)12-15-13-23-18(21-15)16-5-3-4-6-17(16)19/h3-10,13H,2,11-12H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 327.82 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 56662560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).