N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine

C20H19N5O3 — CID 15992243

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(OCC)n1
InChIInChI=1S/C20H19N5O3/c1-3-26-19-23-18(24-20(25-19)27-4-2)21-14-11-9-13(10-12-14)17-22-15-7-5-6-8-16(15)28-17/h5-12H,3-4H2,1-2H3,(H,21,23,24,25)
InChIKeyLNDLLLIEQKYIQM-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine (PubChem CID 15992243) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine
PubChem CID15992243
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(OCC)n1
InChIInChI=1S/C20H19N5O3/c1-3-26-19-23-18(24-20(25-19)27-4-2)21-14-11-9-13(10-12-14)17-22-15-7-5-6-8-16(15)28-17/h5-12H,3-4H2,1-2H3,(H,21,23,24,25)
InChIKeyLNDLLLIEQKYIQM-UHFFFAOYSA-N
XLogP4.22
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine (CID 15992243) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine is CCOc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(OCC)n1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine?
The InChIKey is LNDLLLIEQKYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-3-26-19-23-18(24-20(25-19)27-4-2)21-14-11-9-13(10-12-14)17-22-15-7-5-6-8-16(15)28-17/h5-12H,3-4H2,1-2H3,(H,21,23,24,25).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine has a molecular weight of 377.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-diethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 15992243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).