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

C19H14N6O2 — CID 172637675

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(c3c(-c4ccn(C5CC5)n4)nc4occn34)=CC12
InChIInChI=1S/C19H14N6O2/c26-18-13-9-11(1-4-14(13)20-10-21-18)17-16(22-19-24(17)7-8-27-19)15-5-6-25(23-15)12-2-3-12/h1,4-10,12-13H,2-3H2
InChIKeyQEHAJSBWRULVGW-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.70
Rot. Bonds3

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

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one (PubChem CID 172637675) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
PubChem CID172637675
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(c3c(-c4ccn(C5CC5)n4)nc4occn34)=CC12
InChIInChI=1S/C19H14N6O2/c26-18-13-9-11(1-4-14(13)20-10-21-18)17-16(22-19-24(17)7-8-27-19)15-5-6-25(23-15)12-2-3-12/h1,4-10,12-13H,2-3H2
InChIKeyQEHAJSBWRULVGW-UHFFFAOYSA-N
XLogP2.70
TPSA90.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-Fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole
CID 70641164
1-[3-[Amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 70831722
6-[6-(1-Cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one
CID 146408043
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one
CID 172637674
5-Bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole
CID 146407884
6-(1-Cyclopropylpyrazol-3-yl)-5-imidazo[1,2-a]pyridin-6-ylimidazo[2,1-b][1,3]oxazole
CID 146407919
6-[6-(1-Cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146407921
6-(1-cyclopropylpyrazol-3-yl)-5-(3-methyl-4H-quinazolin-6-yl)imidazo[2,1-b][1,3]oxazole
CID 146407933
5-Imidazo[1,2-a]pyridin-6-yl-6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole
CID 146407958
(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide
CID 146408053
6-(1-Cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole
CID 146408070
(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide
CID 146408079

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one (CID 172637675) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one is O=C1N=CN=C2C=CC(c3c(-c4ccn(C5CC5)n4)nc4occn34)=CC12.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
The InChIKey is QEHAJSBWRULVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c26-18-13-9-11(1-4-14(13)20-10-21-18)17-16(22-19-24(17)7-8-27-19)15-5-6-25(23-15)12-2-3-12/h1,4-10,12-13H,2-3H2.
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one has a molecular weight of 358.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-4aH-quinazolin-4-one is sourced from PubChem (CID 172637675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).