N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine

C26H30N6O — CID 166223860

IUPACN-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine
SMILESCC(C)c1ccc(-c2noc(CN(C)C3CCN(c4ncnc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C26H30N6O/c1-18(2)19-8-10-20(11-9-19)25-29-24(33-30-25)16-31(3)21-12-14-32(15-13-21)26-22-6-4-5-7-23(22)27-17-28-26/h4-11,17-18,21H,12-16H2,1-3H3
InChIKeyDBXKRVISJBQBKM-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.90
Rot. Bonds6

About N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine

N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine (PubChem CID 166223860) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine
PubChem CID166223860
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine
SMILESCC(C)c1ccc(-c2noc(CN(C)C3CCN(c4ncnc5ccccc45)CC3)n2)cc1
InChIInChI=1S/C26H30N6O/c1-18(2)19-8-10-20(11-9-19)25-29-24(33-30-25)16-31(3)21-12-14-32(15-13-21)26-22-6-4-5-7-23(22)27-17-28-26/h4-11,17-18,21H,12-16H2,1-3H3
InChIKeyDBXKRVISJBQBKM-UHFFFAOYSA-N
XLogP4.90
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-5-[3-(4-quinazolin-4-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
CID 36785792
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
CID 170864938
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705568
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232
5-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 16566248
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
CID 133279857
oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate
CID 167984115

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine?
The IUPAC name of N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine (CID 166223860) is N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine is CC(C)c1ccc(-c2noc(CN(C)C3CCN(c4ncnc5ccccc45)CC3)n2)cc1.
What is the InChIKey of N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine?
The InChIKey is DBXKRVISJBQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18(2)19-8-10-20(11-9-19)25-29-24(33-30-25)16-31(3)21-12-14-32(15-13-21)26-22-6-4-5-7-23(22)27-17-28-26/h4-11,17-18,21H,12-16H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine?
N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine has a molecular weight of 442.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinazolin-4-ylpiperidin-4-amine is sourced from PubChem (CID 166223860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).