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

C19H21N3O2 — CID 56665544

IUPACN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H21N3O2/c1-3-22(12-15-8-10-20-11-9-15)13-17-14-24-19(21-17)16-4-6-18(23-2)7-5-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNGTSTWWJLCTOKC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.77
Rot. Bonds7

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

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 56665544) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID56665544
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H21N3O2/c1-3-22(12-15-8-10-20-11-9-15)13-17-14-24-19(21-17)16-4-6-18(23-2)7-5-16/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNGTSTWWJLCTOKC-UHFFFAOYSA-N
XLogP3.77
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 56665544) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)Cc1coc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is NGTSTWWJLCTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-22(12-15-8-10-20-11-9-15)13-17-14-24-19(21-17)16-4-6-18(23-2)7-5-16/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 323.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 56665544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).