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

C20H15N5O — CID 70798391

IUPAC5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCn1cc(-c2ccnc3ccc(-c4ccc5oc(N)nc5c4)cc23)cn1
InChIInChI=1S/C20H15N5O/c1-25-11-14(10-23-25)15-6-7-22-17-4-2-12(8-16(15)17)13-3-5-19-18(9-13)24-20(21)26-19/h2-11H,1H3,(H2,21,24)
InChIKeyZOABTBSIXSHXKG-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.03
Rot. Bonds2

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

5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798391) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798391
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
SMILESCn1cc(-c2ccnc3ccc(-c4ccc5oc(N)nc5c4)cc23)cn1
InChIInChI=1S/C20H15N5O/c1-25-11-14(10-23-25)15-6-7-22-17-4-2-12(8-16(15)17)13-3-5-19-18(9-13)24-20(21)26-19/h2-11H,1H3,(H2,21,24)
InChIKeyZOABTBSIXSHXKG-UHFFFAOYSA-N
XLogP4.03
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine (CID 70798391) is 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine is Cn1cc(-c2ccnc3ccc(-c4ccc5oc(N)nc5c4)cc23)cn1.
What is the InChIKey of 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is ZOABTBSIXSHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-25-11-14(10-23-25)15-6-7-22-17-4-2-12(8-16(15)17)13-3-5-19-18(9-13)24-20(21)26-19/h2-11H,1H3,(H2,21,24).
What are the key properties of 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine?
5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 341.37 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpyrazol-4-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).