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

C19H13N5O — CID 70798386

IUPAC5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(-c5cn[nH]c5)c4c3)ccc2o1
InChIInChI=1S/C19H13N5O/c20-19-24-17-8-12(2-4-18(17)25-19)11-1-3-16-15(7-11)14(5-6-21-16)13-9-22-23-10-13/h1-10H,(H2,20,24)(H,22,23)
InChIKeyYFHMZVFLEUMVGC-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.02
Rot. Bonds2

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

5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798386) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798386
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nccc(-c5cn[nH]c5)c4c3)ccc2o1
InChIInChI=1S/C19H13N5O/c20-19-24-17-8-12(2-4-18(17)25-19)11-1-3-16-15(7-11)14(5-6-21-16)13-9-22-23-10-13/h1-10H,(H2,20,24)(H,22,23)
InChIKeyYFHMZVFLEUMVGC-UHFFFAOYSA-N
XLogP4.02
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine (CID 70798386) is 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4nccc(-c5cn[nH]c5)c4c3)ccc2o1.
What is the InChIKey of 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is YFHMZVFLEUMVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c20-19-24-17-8-12(2-4-18(17)25-19)11-1-3-16-15(7-11)14(5-6-21-16)13-9-22-23-10-13/h1-10H,(H2,20,24)(H,22,23).
What are the key properties of 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 327.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).