4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C17H23N3O2 — CID 500120

IUPAC4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1
InChIInChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3
InChIKeyCSGQGLBCAHGJDR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.68
Rot. Bonds4

About 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 500120) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID500120
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1
InChIInChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3
InChIKeyCSGQGLBCAHGJDR-UHFFFAOYSA-N
XLogP2.68
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 500120) is 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is CC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1.
What is the InChIKey of 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CSGQGLBCAHGJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 301.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[6-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 500120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).