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

C19H14N6O2 — CID 146407883

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-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/h1,4-10,12H,2-3H2,(H,20,21,26)
InChIKeyUTUYNXWPJKLDNH-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.03
Rot. Bonds3

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

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one (PubChem CID 146407883) 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]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
PubChem CID146407883
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]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-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/h1,4-10,12H,2-3H2,(H,20,21,26)
InChIKeyUTUYNXWPJKLDNH-UHFFFAOYSA-N
XLogP3.03
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-3H-quinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one (CID 146407883) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-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]-3H-quinazolin-4-one?
The InChIKey is UTUYNXWPJKLDNH-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/h1,4-10,12H,2-3H2,(H,20,21,26).
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one has a molecular weight of 358.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 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]-3H-quinazolin-4-one is sourced from PubChem (CID 146407883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).