2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole

C19H23N5O — CID 167839601

IUPAC2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCCN(c3ncnc4ccc(C(C)C)cc34)C2)o1
InChIInChI=1S/C19H23N5O/c1-12(2)14-6-7-17-16(9-14)18(21-11-20-17)24-8-4-5-15(10-24)19-23-22-13(3)25-19/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyHJFYTIHAMZCRQS-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole

2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 167839601) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID167839601
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCCN(c3ncnc4ccc(C(C)C)cc34)C2)o1
InChIInChI=1S/C19H23N5O/c1-12(2)14-6-7-17-16(9-14)18(21-11-20-17)24-8-4-5-15(10-24)19-23-22-13(3)25-19/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyHJFYTIHAMZCRQS-UHFFFAOYSA-N
XLogP3.83
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole (CID 167839601) is 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole is Cc1nnc(C2CCCN(c3ncnc4ccc(C(C)C)cc34)C2)o1.
What is the InChIKey of 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is HJFYTIHAMZCRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(2)14-6-7-17-16(9-14)18(21-11-20-17)24-8-4-5-15(10-24)19-23-22-13(3)25-19/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3.
What are the key properties of 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(6-propan-2-ylquinazolin-4-yl)piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 167839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).