N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine

C19H19N5O — CID 155554399

IUPACN-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc2ccccc2nc1-c1nc2ccccc2o1
InChIInChI=1S/C19H19N5O/c1-24(2)12-11-20-18-17(21-13-7-3-4-8-14(13)22-18)19-23-15-9-5-6-10-16(15)25-19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyPVYLEBRNACKPSM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.41
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 155554399) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID155554399
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc2ccccc2nc1-c1nc2ccccc2o1
InChIInChI=1S/C19H19N5O/c1-24(2)12-11-20-18-17(21-13-7-3-4-8-14(13)22-18)19-23-15-9-5-6-10-16(15)25-19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyPVYLEBRNACKPSM-UHFFFAOYSA-N
XLogP3.41
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 155554399) is N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc2ccccc2nc1-c1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PVYLEBRNACKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-24(2)12-11-20-18-17(21-13-7-3-4-8-14(13)22-18)19-23-15-9-5-6-10-16(15)25-19/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 333.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 155554399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).