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

C20H16N6O2 — CID 146408043

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O
InChIInChI=1S/C20H16N6O2/c1-24-11-21-15-5-2-12(10-14(15)19(24)27)18-17(22-20-25(18)8-9-28-20)16-6-7-26(23-16)13-3-4-13/h2,5-11,13H,3-4H2,1H3
InChIKeyXHGGXCQLIBUFNQ-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.04
Rot. Bonds3

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

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one (PubChem CID 146408043) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one
PubChem CID146408043
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O
InChIInChI=1S/C20H16N6O2/c1-24-11-21-15-5-2-12(10-14(15)19(24)27)18-17(22-20-25(18)8-9-28-20)16-6-7-26(23-16)13-3-4-13/h2,5-11,13H,3-4H2,1H3
InChIKeyXHGGXCQLIBUFNQ-UHFFFAOYSA-N
XLogP3.04
TPSA83.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-methylquinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one (CID 146408043) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one?
The InChIKey is XHGGXCQLIBUFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-24-11-21-15-5-2-12(10-14(15)19(24)27)18-17(22-20-25(18)8-9-28-20)16-6-7-26(23-16)13-3-4-13/h2,5-11,13H,3-4H2,1H3.
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one has a molecular weight of 372.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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-methylquinazolin-4-one is sourced from PubChem (CID 146408043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).