N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine

C24H23N3O2 — CID 56662079

IUPACN-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine
SMILESCCOc1cccc(-c2nc(CN(Cc3ccccc3)c3ccccn3)co2)c1
InChIInChI=1S/C24H23N3O2/c1-2-28-22-12-8-11-20(15-22)24-26-21(18-29-24)17-27(23-13-6-7-14-25-23)16-19-9-4-3-5-10-19/h3-15,18H,2,16-17H2,1H3
InChIKeyQNDBSATYWAJMGF-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.34
Rot. Bonds8

About N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine

N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine (PubChem CID 56662079) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine
PubChem CID56662079
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine
SMILESCCOc1cccc(-c2nc(CN(Cc3ccccc3)c3ccccn3)co2)c1
InChIInChI=1S/C24H23N3O2/c1-2-28-22-12-8-11-20(15-22)24-26-21(18-29-24)17-27(23-13-6-7-14-25-23)16-19-9-4-3-5-10-19/h3-15,18H,2,16-17H2,1H3
InChIKeyQNDBSATYWAJMGF-UHFFFAOYSA-N
XLogP5.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine (CID 56662079) is N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine is CCOc1cccc(-c2nc(CN(Cc3ccccc3)c3ccccn3)co2)c1.
What is the InChIKey of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine?
The InChIKey is QNDBSATYWAJMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-28-22-12-8-11-20(15-22)24-26-21(18-29-24)17-27(23-13-6-7-14-25-23)16-19-9-4-3-5-10-19/h3-15,18H,2,16-17H2,1H3.
What are the key properties of N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine?
N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 385.47 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 56662079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).