[4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone

C23H24ClN3O3 — CID 71511392

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone
SMILESCCc1nc(-c2ccc(OC)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C23H24ClN3O3/c1-3-20-25-21(16-7-9-19(29-2)10-8-16)22(30-20)23(28)27-13-11-26(12-14-27)18-6-4-5-17(24)15-18/h4-10,15H,3,11-14H2,1-2H3
InChIKeyONTMCSJCILDQTH-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.53
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone (PubChem CID 71511392) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone
PubChem CID71511392
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone
SMILESCCc1nc(-c2ccc(OC)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C23H24ClN3O3/c1-3-20-25-21(16-7-9-19(29-2)10-8-16)22(30-20)23(28)27-13-11-26(12-14-27)18-6-4-5-17(24)15-18/h4-10,15H,3,11-14H2,1-2H3
InChIKeyONTMCSJCILDQTH-UHFFFAOYSA-N
XLogP4.53
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone (CID 71511392) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone is CCc1nc(-c2ccc(OC)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is ONTMCSJCILDQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-20-25-21(16-7-9-19(29-2)10-8-16)22(30-20)23(28)27-13-11-26(12-14-27)18-6-4-5-17(24)15-18/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 425.92 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[2-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 71511392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).