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

C16H22N6O2 — CID 942515

IUPACN-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3=NCN(CCN4CCOCC4)CN3)nc2c1
InChIInChI=1S/C16H22N6O2/c1-2-4-14-13(3-1)19-16(24-14)20-15-17-11-22(12-18-15)6-5-21-7-9-23-10-8-21/h1-4H,5-12H2,(H2,17,18,19,20)
InChIKeyHJGFOJSKMSXWBJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.75
Rot. Bonds4

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

N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 942515) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID942515
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3=NCN(CCN4CCOCC4)CN3)nc2c1
InChIInChI=1S/C16H22N6O2/c1-2-4-14-13(3-1)19-16(24-14)20-15-17-11-22(12-18-15)6-5-21-7-9-23-10-8-21/h1-4H,5-12H2,(H2,17,18,19,20)
InChIKeyHJGFOJSKMSXWBJ-UHFFFAOYSA-N
XLogP0.75
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine (CID 942515) is N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine is c1ccc2oc(NC3=NCN(CCN4CCOCC4)CN3)nc2c1.
What is the InChIKey of N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is HJGFOJSKMSXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-2-4-14-13(3-1)19-16(24-14)20-15-17-11-22(12-18-15)6-5-21-7-9-23-10-8-21/h1-4H,5-12H2,(H2,17,18,19,20).
What are the key properties of N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 330.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 942515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).