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

C25H27N5O3S — CID 90435584

IUPAC3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCCNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1
InChIInChI=1S/C25H27N5O3S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(33-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)34(31,32)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28)
InChIKeyZVOIZFFFPDDJHJ-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.34
Rot. Bonds8

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

3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 90435584) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID90435584
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCCNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1
InChIInChI=1S/C25H27N5O3S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(33-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)34(31,32)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28)
InChIKeyZVOIZFFFPDDJHJ-UHFFFAOYSA-N
XLogP4.34
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 90435584) is 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CCNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1.
What is the InChIKey of 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is ZVOIZFFFPDDJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(33-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)34(31,32)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28).
What are the key properties of 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 477.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 90435584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).