N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide

C17H18N6O3S — CID 56848706

IUPACN-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1
InChIInChI=1S/C17H18N6O3S/c1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23)
InChIKeyZZZYUEUIXFBSTB-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.95
Rot. Bonds5

About N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide

N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide (PubChem CID 56848706) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide
PubChem CID56848706
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1
InChIInChI=1S/C17H18N6O3S/c1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23)
InChIKeyZZZYUEUIXFBSTB-UHFFFAOYSA-N
XLogP1.95
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[1-(5-Pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848702
5-[4-[1-(5-Amino-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]-2-pyrimidinamine
CID 56848704
1-[3-[1-[4-(2-Aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 56849428
3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 66780087
3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N-ethyl-1,2,4-oxadiazol-5-amine
CID 66780496
1-[3-[(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-4-methylpiperidin-4-ol
CID 68049858
5-[4-[1-(5-Piperidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68075206
5-[4-[1-(5-Piperazin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68183009
4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 137636980
[1-[3-[1-[4-(2-Aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]methanol
CID 137639989
1-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-3-methylazetidin-3-ol
CID 137642724
1-[3-[1-[4-(2-Aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]azetidin-3-ol
CID 137642758

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide?
The IUPAC name of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide (CID 56848706) is N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.
What is the InChIKey of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide?
The InChIKey is ZZZYUEUIXFBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23).
What are the key properties of N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide?
N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide is sourced from PubChem (CID 56848706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).