3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C24H25N5O3S — CID 155560892

IUPAC3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H](C)N)cc4)no3)n2)cc1
InChIInChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m1/s1
InChIKeyBRGUQOISTYVOBM-OAHLLOKOSA-N
MW463.56 g/mol
LogP4.25
Rot. Bonds6

About 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 155560892) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID155560892
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H](C)N)cc4)no3)n2)cc1
InChIInChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m1/s1
InChIKeyBRGUQOISTYVOBM-OAHLLOKOSA-N
XLogP4.25
TPSA137.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 155560892) is 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H](C)N)cc4)no3)n2)cc1.
What is the InChIKey of 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is BRGUQOISTYVOBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m1/s1.
What are the key properties of 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 463.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(1R)-1-aminoethyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 155560892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).