phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

C23H22N4O3S — CID 127047500

IUPACphenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C23H22N4O3S/c28-23(29-18-9-5-2-6-10-18)27-13-11-26(12-14-27)22-24-20(16-31-22)19-15-21(30-25-19)17-7-3-1-4-8-17/h1-10,16,21H,11-15H2
InChIKeyGNSVKGUJLCUUML-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.33
Rot. Bonds4

About phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 127047500) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID127047500
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Namephenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C23H22N4O3S/c28-23(29-18-9-5-2-6-10-18)27-13-11-26(12-14-27)22-24-20(16-31-22)19-15-21(30-25-19)17-7-3-1-4-8-17/h1-10,16,21H,11-15H2
InChIKeyGNSVKGUJLCUUML-UHFFFAOYSA-N
XLogP4.33
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 127047500) is phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1.
What is the InChIKey of phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is GNSVKGUJLCUUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-23(29-18-9-5-2-6-10-18)27-13-11-26(12-14-27)22-24-20(16-31-22)19-15-21(30-25-19)17-7-3-1-4-8-17/h1-10,16,21H,11-15H2.
What are the key properties of phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 127047500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).