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]-3H-quinazolin-4-one

C39H30N12O4 — CID 163716177

IUPAC6-[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]-3H-quinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc12
InChIInChI=1S/C20H16N6O2.C19H14N6O2/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;26-18-13-9-11(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/h2,5-11,13H,3-4H2,1H3;1,4-10,12H,2-3H2,(H,20,21,26)
InChIKeyKNNLLEKKDLCYAZ-UHFFFAOYSA-N
MW730.75 g/mol
LogP6.07
Rot. Bonds6

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]-3H-quinazolin-4-one

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]-3H-quinazolin-4-one (PubChem CID 163716177) has the molecular formula C39H30N12O4 and a molecular weight of 730.75 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;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]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
PubChem CID163716177
Molecular FormulaC39H30N12O4
Molecular Weight730.75 g/mol
Exact Mass730.25
IUPAC Name6-[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]-3H-quinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc12
InChIInChI=1S/C20H16N6O2.C19H14N6O2/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;26-18-13-9-11(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/h2,5-11,13H,3-4H2,1H3;1,4-10,12H,2-3H2,(H,20,21,26)
InChIKeyKNNLLEKKDLCYAZ-UHFFFAOYSA-N
XLogP6.07
TPSA177.16 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.75
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 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]-3H-quinazolin-4-one with MolForge

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Related Compounds

3-Methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one
CID 146407932
6-[6-(1-Cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one
CID 146408043
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
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
CID 146407883
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
CID 146407889
3-Methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one
CID 146408017
(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 155378444
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-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-methylquinazolin-4-one;3-methyl-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-4-one;3-(2-morpholin-4-ylethyl)-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 163418750
6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163503146
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;bis((E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinazolin-5-yl]prop-2-enamide);(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]quinoxalin-5-yl]prop-2-enamide
CID 163554611
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol
CID 163558229
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;3-methyl-6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one
CID 163587598

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;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]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one (CID 163716177) is 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]-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]-3-methylquinazolin-4-one;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]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc2c1=O.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]-3-methylquinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one?
The InChIKey is KNNLLEKKDLCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2.C19H14N6O2/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;26-18-13-9-11(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/h2,5-11,13H,3-4H2,1H3;1,4-10,12H,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]-3-methylquinazolin-4-one;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]-3-methylquinazolin-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 730.75 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 15 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;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 163716177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).