N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine

C23H24N4O2 — CID 163452836

IUPACN-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCCNc1ncccc1C1CC(Cc2ccc(COc3ccccn3)cc2)=NO1
InChIInChI=1S/C23H24N4O2/c1-2-24-23-20(6-5-13-26-23)21-15-19(27-29-21)14-17-8-10-18(11-9-17)16-28-22-7-3-4-12-25-22/h3-13,21H,2,14-16H2,1H3,(H,24,26)
InChIKeyBHZMEXIGFMFFHX-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.55
Rot. Bonds8

About N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine

N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 163452836) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID163452836
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCCNc1ncccc1C1CC(Cc2ccc(COc3ccccn3)cc2)=NO1
InChIInChI=1S/C23H24N4O2/c1-2-24-23-20(6-5-13-26-23)21-15-19(27-29-21)14-17-8-10-18(11-9-17)16-28-22-7-3-4-12-25-22/h3-13,21H,2,14-16H2,1H3,(H,24,26)
InChIKeyBHZMEXIGFMFFHX-UHFFFAOYSA-N
XLogP4.55
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (CID 163452836) is N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is CCNc1ncccc1C1CC(Cc2ccc(COc3ccccn3)cc2)=NO1.
What is the InChIKey of N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is BHZMEXIGFMFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-24-23-20(6-5-13-26-23)21-15-19(27-29-21)14-17-8-10-18(11-9-17)16-28-22-7-3-4-12-25-22/h3-13,21H,2,14-16H2,1H3,(H,24,26).
What are the key properties of N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 388.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 163452836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).