N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine

C14H19N5O2 — CID 2003439

IUPACN-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
SMILESCOCCCN1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C14H19N5O2/c1-20-8-4-7-19-9-15-13(16-10-19)18-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17,18)
InChIKeyWMXAJOAMXKQGLF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.45
Rot. Bonds5

About N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine

N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 2003439) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID2003439
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
SMILESCOCCCN1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C14H19N5O2/c1-20-8-4-7-19-9-15-13(16-10-19)18-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17,18)
InChIKeyWMXAJOAMXKQGLF-UHFFFAOYSA-N
XLogP1.45
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine (CID 2003439) is N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine is COCCCN1CN=C(Nc2nc3ccccc3o2)NC1.
What is the InChIKey of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is WMXAJOAMXKQGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-8-4-7-19-9-15-13(16-10-19)18-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 289.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 2003439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).