5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine

C19H20N6O — CID 118497531

IUPAC5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine
SMILESCn1cc(-c2cnc3ccc(Nc4cc(C(C)(C)C)on4)nc3c2)cn1
InChIInChI=1S/C19H20N6O/c1-19(2,3)16-8-18(24-26-16)23-17-6-5-14-15(22-17)7-12(9-20-14)13-10-21-25(4)11-13/h5-11H,1-4H3,(H,22,23,24)
InChIKeyKPBRTJVMZMBAOO-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.06
Rot. Bonds3

About 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine

5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine (PubChem CID 118497531) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine
PubChem CID118497531
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine
SMILESCn1cc(-c2cnc3ccc(Nc4cc(C(C)(C)C)on4)nc3c2)cn1
InChIInChI=1S/C19H20N6O/c1-19(2,3)16-8-18(24-26-16)23-17-6-5-14-15(22-17)7-12(9-20-14)13-10-21-25(4)11-13/h5-11H,1-4H3,(H,22,23,24)
InChIKeyKPBRTJVMZMBAOO-UHFFFAOYSA-N
XLogP4.06
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine (CID 118497531) is 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine is Cn1cc(-c2cnc3ccc(Nc4cc(C(C)(C)C)on4)nc3c2)cn1.
What is the InChIKey of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine?
The InChIKey is KPBRTJVMZMBAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-19(2,3)16-8-18(24-26-16)23-17-6-5-14-15(22-17)7-12(9-20-14)13-10-21-25(4)11-13/h5-11H,1-4H3,(H,22,23,24).
What are the key properties of 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine?
5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine has a molecular weight of 348.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 118497531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).