6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one

C19H16N6O2 — CID 172637674

IUPAC6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3occn3c2C2=CC3C(=O)N=CN=C3C=C2)n1
InChIInChI=1S/C19H16N6O2/c1-11(2)25-6-5-15(23-25)16-17(24-7-8-27-19(24)22-16)12-3-4-14-13(9-12)18(26)21-10-20-14/h3-11,13H,1-2H3
InChIKeyOGUDWQHOQRWISU-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.95
Rot. Bonds3

About 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one

6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one (PubChem CID 172637674) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
PubChem CID172637674
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3occn3c2C2=CC3C(=O)N=CN=C3C=C2)n1
InChIInChI=1S/C19H16N6O2/c1-11(2)25-6-5-15(23-25)16-17(24-7-8-27-19(24)22-16)12-3-4-14-13(9-12)18(26)21-10-20-14/h3-11,13H,1-2H3
InChIKeyOGUDWQHOQRWISU-UHFFFAOYSA-N
XLogP2.95
TPSA90.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 58541854
CID 58541854
CID 70641164
CID 70641164
CID 70831715
CID 70831715
CID 70831722
CID 70831722
CID 71097470
CID 71097470
CID 89209664
CID 89209664
CID 146407932
CID 146407932
CID 146408043
CID 146408043
CID 172637675
CID 172637675
CID 146407884
CID 146407884
CID 146407914
CID 146407914
CID 146407919
CID 146407919

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
The IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one (CID 172637674) is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
The canonical SMILES for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one is CC(C)n1ccc(-c2nc3occn3c2C2=CC3C(=O)N=CN=C3C=C2)n1.
What is the InChIKey of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
The InChIKey is OGUDWQHOQRWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-11(2)25-6-5-15(23-25)16-17(24-7-8-27-19(24)22-16)12-3-4-14-13(9-12)18(26)21-10-20-14/h3-11,13H,1-2H3.
What are the key properties of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one has a molecular weight of 360.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one is sourced from PubChem (CID 172637674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).