5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

C18H12N6O — CID 71037656

IUPAC5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5cn[nH]c5)nc4c3)ccc2o1
InChIInChI=1S/C18H12N6O/c19-18-24-15-6-11(2-4-17(15)25-18)10-1-3-13-14(5-10)23-16(9-20-13)12-7-21-22-8-12/h1-9H,(H2,19,24)(H,21,22)
InChIKeyADBUPFTVWSNTHI-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.41
Rot. Bonds2

About 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 71037656) has the molecular formula C18H12N6O and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID71037656
Molecular FormulaC18H12N6O
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5cn[nH]c5)nc4c3)ccc2o1
InChIInChI=1S/C18H12N6O/c19-18-24-15-6-11(2-4-17(15)25-18)10-1-3-13-14(5-10)23-16(9-20-13)12-7-21-22-8-12/h1-9H,(H2,19,24)(H,21,22)
InChIKeyADBUPFTVWSNTHI-UHFFFAOYSA-N
XLogP3.41
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (CID 71037656) is 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(-c5cn[nH]c5)nc4c3)ccc2o1.
What is the InChIKey of 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is ADBUPFTVWSNTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O/c19-18-24-15-6-11(2-4-17(15)25-18)10-1-3-13-14(5-10)23-16(9-20-13)12-7-21-22-8-12/h1-9H,(H2,19,24)(H,21,22).
What are the key properties of 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 328.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 71037656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).