3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one

C18H17N5O2 — CID 25292627

IUPAC3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNc1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H17N5O2/c24-18-23(10-11-25-18)9-8-19-17-21-16(12-20-22-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2,(H,19,21,22)
InChIKeyIEYPKYVKVCERIU-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.56
Rot. Bonds5

About 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 25292627) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID25292627
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNc1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H17N5O2/c24-18-23(10-11-25-18)9-8-19-17-21-16(12-20-22-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2,(H,19,21,22)
InChIKeyIEYPKYVKVCERIU-UHFFFAOYSA-N
XLogP2.56
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one (CID 25292627) is 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCNc1nncc(-c2cccc3ccccc23)n1.
What is the InChIKey of 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is IEYPKYVKVCERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18-23(10-11-25-18)9-8-19-17-21-16(12-20-22-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2,(H,19,21,22).
What are the key properties of 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 335.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25292627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).