N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine

C25H27N5O3S — CID 70883106

IUPACN,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
SMILESCc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN(C)C)cc2)o1
InChIInChI=1S/C25H27N5O3S/c1-16(2)34(31,32)21-12-10-19(11-13-21)22-14-26-17(3)23(27-22)25-29-28-24(33-25)20-8-6-18(7-9-20)15-30(4)5/h6-14,16H,15H2,1-5H3
InChIKeyAJFWLLIHXSPTPR-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.41
Rot. Bonds7

About N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine

N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine (PubChem CID 70883106) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
PubChem CID70883106
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC NameN,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
SMILESCc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN(C)C)cc2)o1
InChIInChI=1S/C25H27N5O3S/c1-16(2)34(31,32)21-12-10-19(11-13-21)22-14-26-17(3)23(27-22)25-29-28-24(33-25)20-8-6-18(7-9-20)15-30(4)5/h6-14,16H,15H2,1-5H3
InChIKeyAJFWLLIHXSPTPR-UHFFFAOYSA-N
XLogP4.41
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine (CID 70883106) is N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
The InChIKey is AJFWLLIHXSPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16(2)34(31,32)21-12-10-19(11-13-21)22-14-26-17(3)23(27-22)25-29-28-24(33-25)20-8-6-18(7-9-20)15-30(4)5/h6-14,16H,15H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine has a molecular weight of 477.59 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 70883106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).