4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine

C24H24ClN5O3S — CID 42875101

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C24H24ClN5O3S/c1-2-6-20-26-23(21-22(28-33-24(21)27-20)17-7-4-3-5-8-17)29-13-15-30(16-14-29)34(31,32)19-11-9-18(25)10-12-19/h3-5,7-12H,2,6,13-16H2,1H3
InChIKeyAVNHEVYLEINCNG-UHFFFAOYSA-N
MW498.01 g/mol
LogP4.40
Rot. Bonds6

About 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 42875101) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID42875101
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C24H24ClN5O3S/c1-2-6-20-26-23(21-22(28-33-24(21)27-20)17-7-4-3-5-8-17)29-13-15-30(16-14-29)34(31,32)19-11-9-18(25)10-12-19/h3-5,7-12H,2,6,13-16H2,1H3
InChIKeyAVNHEVYLEINCNG-UHFFFAOYSA-N
XLogP4.40
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 42875101) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine is CCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is AVNHEVYLEINCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-2-6-20-26-23(21-22(28-33-24(21)27-20)17-7-4-3-5-8-17)29-13-15-30(16-14-29)34(31,32)19-11-9-18(25)10-12-19/h3-5,7-12H,2,6,13-16H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 498.01 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42875101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).