2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine

C18H22N6O — CID 71933431

IUPAC2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine
SMILESCc1nc(CC2CCCN(Cc3nc(N)c4ccccc4n3)C2)no1
InChIInChI=1S/C18H22N6O/c1-12-20-16(23-25-12)9-13-5-4-8-24(10-13)11-17-21-15-7-3-2-6-14(15)18(19)22-17/h2-3,6-7,13H,4-5,8-11H2,1H3,(H2,19,21,22)
InChIKeyPZBWOLPDWPUMNT-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.36
Rot. Bonds4

About 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine

2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 71933431) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine
PubChem CID71933431
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine
SMILESCc1nc(CC2CCCN(Cc3nc(N)c4ccccc4n3)C2)no1
InChIInChI=1S/C18H22N6O/c1-12-20-16(23-25-12)9-13-5-4-8-24(10-13)11-17-21-15-7-3-2-6-14(15)18(19)22-17/h2-3,6-7,13H,4-5,8-11H2,1H3,(H2,19,21,22)
InChIKeyPZBWOLPDWPUMNT-UHFFFAOYSA-N
XLogP2.36
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine (CID 71933431) is 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine is Cc1nc(CC2CCCN(Cc3nc(N)c4ccccc4n3)C2)no1.
What is the InChIKey of 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is PZBWOLPDWPUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-20-16(23-25-12)9-13-5-4-8-24(10-13)11-17-21-15-7-3-2-6-14(15)18(19)22-17/h2-3,6-7,13H,4-5,8-11H2,1H3,(H2,19,21,22).
What are the key properties of 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine?
2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 71933431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).