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

C18H22N6O — CID 95289671

IUPACN-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
SMILESCCc1nc(CN2CCC[C@@H](Nc3ncnc4ccccc34)C2)no1
InChIInChI=1S/C18H22N6O/c1-2-17-22-16(23-25-17)11-24-9-5-6-13(10-24)21-18-14-7-3-4-8-15(14)19-12-20-18/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,19,20,21)/t13-/m1/s1
InChIKeyKRRFSXMJLVJFOC-CYBMUJFWSA-N
MW338.42 g/mol
LogP2.65
Rot. Bonds5

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

N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine (PubChem CID 95289671) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
PubChem CID95289671
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
SMILESCCc1nc(CN2CCC[C@@H](Nc3ncnc4ccccc34)C2)no1
InChIInChI=1S/C18H22N6O/c1-2-17-22-16(23-25-17)11-24-9-5-6-13(10-24)21-18-14-7-3-4-8-15(14)19-12-20-18/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,19,20,21)/t13-/m1/s1
InChIKeyKRRFSXMJLVJFOC-CYBMUJFWSA-N
XLogP2.65
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(Z)-3-phenylprop-2-enyl]piperidin-3-amine
CID 98511917
N-[(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95286708
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95339980
2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
CID 95299359
3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
CID 95614068
2-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-4-ylacetamide
CID 95334722
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599796
N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599795
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124757385

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine?
The IUPAC name of N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine (CID 95289671) is N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine.
What is the SMILES notation for N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine?
The canonical SMILES for N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine is CCc1nc(CN2CCC[C@@H](Nc3ncnc4ccccc34)C2)no1.
What is the InChIKey of N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine?
The InChIKey is KRRFSXMJLVJFOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-17-22-16(23-25-17)11-24-9-5-6-13(10-24)21-18-14-7-3-4-8-15(14)19-12-20-18/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine?
N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine is sourced from PubChem (CID 95289671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).