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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Related Compounds

5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716966
5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
CID 54675302
[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70798533
2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide
CID 177372231
5-[7-[(3R)-3-methylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 70650038
2-methyl-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 154938206
(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol
CID 70798709
5-[3-(3-pyrrolidin-1-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798676
5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 121419858
6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079
5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 54675301
[1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 144716980

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).