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

C26H27N5O4S — CID 71515494

IUPAC3-[3-[4-[(3R)-morpholin-3-yl]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]5COCCN5)cc4)no3)n2)cc1
InChIInChI=1S/C26H27N5O4S/c1-16(2)36(32,33)20-9-7-18(8-10-20)22-14-29-26(27)25(30-22)24-13-21(31-35-24)17-3-5-19(6-4-17)23-15-34-12-11-28-23/h3-10,13-14,16,23,28H,11-12,15H2,1-2H3,(H2,27,29)/t23-/m0/s1
InChIKeyIXGKDJWUPZRAPM-QHCPKHFHSA-N
MW505.60 g/mol
LogP3.89
Rot. Bonds6

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

3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 71515494) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID71515494
Molecular FormulaC26H27N5O4S
Molecular Weight505.60 g/mol
Exact Mass505.18
IUPAC Name3-[3-[4-[(3R)-morpholin-3-yl]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]5COCCN5)cc4)no3)n2)cc1
InChIInChI=1S/C26H27N5O4S/c1-16(2)36(32,33)20-9-7-18(8-10-20)22-14-29-26(27)25(30-22)24-13-21(31-35-24)17-3-5-19(6-4-17)23-15-34-12-11-28-23/h3-10,13-14,16,23,28H,11-12,15H2,1-2H3,(H2,27,29)/t23-/m0/s1
InChIKeyIXGKDJWUPZRAPM-QHCPKHFHSA-N
XLogP3.89
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 71515494) is 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[3-[4-[(3R)-morpholin-3-yl]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]5COCCN5)cc4)no3)n2)cc1.
What is the InChIKey of 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is IXGKDJWUPZRAPM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-16(2)36(32,33)20-9-7-18(8-10-20)22-14-29-26(27)25(30-22)24-13-21(31-35-24)17-3-5-19(6-4-17)23-15-34-12-11-28-23/h3-10,13-14,16,23,28H,11-12,15H2,1-2H3,(H2,27,29)/t23-/m0/s1.
What are the key properties of 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 505.60 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(3R)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 71515494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).