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

C23H21ClN4O3S — CID 127046636

IUPAC(4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C23H21ClN4O3S/c24-17-6-8-18(9-7-17)30-23(29)28-12-10-27(11-13-28)22-25-20(15-32-22)19-14-21(31-26-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2
InChIKeyHJDLHYZNKLJIML-UHFFFAOYSA-N
MW468.97 g/mol
LogP4.98
Rot. Bonds4

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

(4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 127046636) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID127046636
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC Name(4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C23H21ClN4O3S/c24-17-6-8-18(9-7-17)30-23(29)28-12-10-27(11-13-28)22-25-20(15-32-22)19-14-21(31-26-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2
InChIKeyHJDLHYZNKLJIML-UHFFFAOYSA-N
XLogP4.98
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 127046636) is (4-chlorophenyl) 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 (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is O=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1.
What is the InChIKey of (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is HJDLHYZNKLJIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c24-17-6-8-18(9-7-17)30-23(29)28-12-10-27(11-13-28)22-25-20(15-32-22)19-14-21(31-26-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2.
What are the key properties of (4-chlorophenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
(4-chlorophenyl) 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 468.97 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 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 127046636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).