3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

C22H22N6O — CID 51283276

IUPAC3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)on1
InChIInChI=1S/C22H22N6O/c1-16-13-18(29-26-16)15-27-9-11-28(12-10-27)22-19-6-2-3-7-20(19)24-21(25-22)17-5-4-8-23-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyAGGOQWLEGBEKEC-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds4

About 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 51283276) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID51283276
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)on1
InChIInChI=1S/C22H22N6O/c1-16-13-18(29-26-16)15-27-9-11-28(12-10-27)22-19-6-2-3-7-20(19)24-21(25-22)17-5-4-8-23-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyAGGOQWLEGBEKEC-UHFFFAOYSA-N
XLogP3.31
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 51283276) is 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is AGGOQWLEGBEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-16-13-18(29-26-16)15-27-9-11-28(12-10-27)22-19-6-2-3-7-20(19)24-21(25-22)17-5-4-8-23-14-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 386.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 51283276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).