4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole

C15H17N3O — CID 154729884

IUPAC4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2ccc3cccnc3n2)=N1
InChIInChI=1S/C15H17N3O/c1-15(2,3)12-9-19-14(18-12)11-7-6-10-5-4-8-16-13(10)17-11/h4-8,12H,9H2,1-3H3
InChIKeyJVJLNFRXYYATTD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.82
Rot. Bonds1

About 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole

4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 154729884) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID154729884
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2ccc3cccnc3n2)=N1
InChIInChI=1S/C15H17N3O/c1-15(2,3)12-9-19-14(18-12)11-7-6-10-5-4-8-16-13(10)17-11/h4-8,12H,9H2,1-3H3
InChIKeyJVJLNFRXYYATTD-UHFFFAOYSA-N
XLogP2.82
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole (CID 154729884) is 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(c2ccc3cccnc3n2)=N1.
What is the InChIKey of 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JVJLNFRXYYATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)12-9-19-14(18-12)11-7-6-10-5-4-8-16-13(10)17-11/h4-8,12H,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 255.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154729884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).