[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone

C23H27N5O5S — CID 51966024

IUPAC[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESO=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C23H27N5O5S/c29-23(20-16-21(33-25-20)18-4-2-1-3-5-18)27-10-8-26(9-11-27)22-7-6-19(17-24-22)34(30,31)28-12-14-32-15-13-28/h1-7,17,21H,8-16H2/t21-/m1/s1
InChIKeyGHBDWJXPGYZBGJ-OAQYLSRUSA-N
MW485.57 g/mol
LogP1.27
Rot. Bonds5

About [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone

[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone (PubChem CID 51966024) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
PubChem CID51966024
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC Name[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
SMILESO=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C23H27N5O5S/c29-23(20-16-21(33-25-20)18-4-2-1-3-5-18)27-10-8-26(9-11-27)22-7-6-19(17-24-22)34(30,31)28-12-14-32-15-13-28/h1-7,17,21H,8-16H2/t21-/m1/s1
InChIKeyGHBDWJXPGYZBGJ-OAQYLSRUSA-N
XLogP1.27
TPSA104.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone (CID 51966024) is [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone is O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
The InChIKey is GHBDWJXPGYZBGJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N5O5S/c29-23(20-16-21(33-25-20)18-4-2-1-3-5-18)27-10-8-26(9-11-27)22-7-6-19(17-24-22)34(30,31)28-12-14-32-15-13-28/h1-7,17,21H,8-16H2/t21-/m1/s1.
What are the key properties of [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone?
[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone has a molecular weight of 485.57 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 51966024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).