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

C26H22N4O — CID 56679882

IUPACN-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2cccnc2)Cc2coc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C26H22N4O/c1-2-10-24-22(8-1)9-3-11-25(24)26-29-23(19-31-26)18-30(16-20-6-4-12-27-14-20)17-21-7-5-13-28-15-21/h1-15,19H,16-18H2
InChIKeyXTTPVYLYVULIJC-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.49
Rot. Bonds7

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

N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 56679882) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine
PubChem CID56679882
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2cccnc2)Cc2coc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C26H22N4O/c1-2-10-24-22(8-1)9-3-11-25(24)26-29-23(19-31-26)18-30(16-20-6-4-12-27-14-20)17-21-7-5-13-28-15-21/h1-15,19H,16-18H2
InChIKeyXTTPVYLYVULIJC-UHFFFAOYSA-N
XLogP5.49
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine (CID 56679882) is N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CN(Cc2cccnc2)Cc2coc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is XTTPVYLYVULIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-2-10-24-22(8-1)9-3-11-25(24)26-29-23(19-31-26)18-30(16-20-6-4-12-27-14-20)17-21-7-5-13-28-15-21/h1-15,19H,16-18H2.
What are the key properties of N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine?
N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 406.49 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]-1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 56679882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).