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

C18H18ClN3O — CID 56675952

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN3O/c1-22(11-9-14-6-4-5-10-20-14)12-15-13-23-18(21-15)16-7-2-3-8-17(16)19/h2-8,10,13H,9,11-12H2,1H3
InChIKeyRMDNUKUXRRHUNB-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.06
Rot. Bonds6

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

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 56675952) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID56675952
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN3O/c1-22(11-9-14-6-4-5-10-20-14)12-15-13-23-18(21-15)16-7-2-3-8-17(16)19/h2-8,10,13H,9,11-12H2,1H3
InChIKeyRMDNUKUXRRHUNB-UHFFFAOYSA-N
XLogP4.06
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.06
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-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 56675952) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1coc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is RMDNUKUXRRHUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-22(11-9-14-6-4-5-10-20-14)12-15-13-23-18(21-15)16-7-2-3-8-17(16)19/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 327.81 g/mol, XLogP of 4.06, 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-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 56675952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).