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

C25H25N7O3 — CID 146407872

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C25H25N7O3/c33-24-19-15-17(1-4-20(19)26-16-30(24)8-7-29-9-12-34-13-10-29)23-22(27-25-31(23)11-14-35-25)21-5-6-32(28-21)18-2-3-18/h1,4-6,11,14-16,18H,2-3,7-10,12-13H2
InChIKeyXLDOADRWZUAUKQ-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.83
Rot. Bonds6

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

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one (PubChem CID 146407872) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
PubChem CID146407872
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C25H25N7O3/c33-24-19-15-17(1-4-20(19)26-16-30(24)8-7-29-9-12-34-13-10-29)23-22(27-25-31(23)11-14-35-25)21-5-6-32(28-21)18-2-3-18/h1,4-6,11,14-16,18H,2-3,7-10,12-13H2
InChIKeyXLDOADRWZUAUKQ-UHFFFAOYSA-N
XLogP2.83
TPSA95.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one (CID 146407872) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one is O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCOCC1.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The InChIKey is XLDOADRWZUAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c33-24-19-15-17(1-4-20(19)26-16-30(24)8-7-29-9-12-34-13-10-29)23-22(27-25-31(23)11-14-35-25)21-5-6-32(28-21)18-2-3-18/h1,4-6,11,14-16,18H,2-3,7-10,12-13H2.
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one has a molecular weight of 471.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 10 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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one is sourced from PubChem (CID 146407872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).