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

C20H18N6O2 — CID 146407932

IUPAC3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncn(C)c(=O)c3c2)n1
InChIInChI=1S/C20H18N6O2/c1-12(2)26-7-6-16(23-26)17-18(25-8-9-28-20(25)22-17)13-4-5-15-14(10-13)19(27)24(3)11-21-15/h4-12H,1-3H3
InChIKeyFUOVOARMFNAIDP-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.29
Rot. Bonds3

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

3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one (PubChem CID 146407932) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one
PubChem CID146407932
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncn(C)c(=O)c3c2)n1
InChIInChI=1S/C20H18N6O2/c1-12(2)26-7-6-16(23-26)17-18(25-8-9-28-20(25)22-17)13-4-5-15-14(10-13)19(27)24(3)11-21-15/h4-12H,1-3H3
InChIKeyFUOVOARMFNAIDP-UHFFFAOYSA-N
XLogP3.29
TPSA83.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one (CID 146407932) is 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one is CC(C)n1ccc(-c2nc3occn3c2-c2ccc3ncn(C)c(=O)c3c2)n1.
What is the InChIKey of 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one?
The InChIKey is FUOVOARMFNAIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12(2)26-7-6-16(23-26)17-18(25-8-9-28-20(25)22-17)13-4-5-15-14(10-13)19(27)24(3)11-21-15/h4-12H,1-3H3.
What are the key properties of 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one?
3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one has a molecular weight of 374.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 146407932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).