3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

C26H22N6O — CID 133299396

IUPAC3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CCN(c4nc(-c5cccnc5)nc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C26H22N6O/c1-2-7-18(8-3-1)24-30-26(33-31-24)19-12-15-32(16-13-19)25-21-10-4-5-11-22(21)28-23(29-25)20-9-6-14-27-17-20/h1-11,14,17,19H,12-13,15-16H2
InChIKeyIVCMIWBANKXLRO-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.13
Rot. Bonds4

About 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 133299396) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID133299396
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CCN(c4nc(-c5cccnc5)nc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C26H22N6O/c1-2-7-18(8-3-1)24-30-26(33-31-24)19-12-15-32(16-13-19)25-21-10-4-5-11-22(21)28-23(29-25)20-9-6-14-27-17-20/h1-11,14,17,19H,12-13,15-16H2
InChIKeyIVCMIWBANKXLRO-UHFFFAOYSA-N
XLogP5.13
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92576526
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276
3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299375
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 133299396) is 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is c1ccc(-c2noc(C3CCN(c4nc(-c5cccnc5)nc5ccccc45)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is IVCMIWBANKXLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-2-7-18(8-3-1)24-30-26(33-31-24)19-12-15-32(16-13-19)25-21-10-4-5-11-22(21)28-23(29-25)20-9-6-14-27-17-20/h1-11,14,17,19H,12-13,15-16H2.
What are the key properties of 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 434.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133299396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).