[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone

C22H21ClFN3O3 — CID 71511182

IUPAC[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2oc(C)nc2-c2ccccc2F)CC1
InChIInChI=1S/C22H21ClFN3O3/c1-14-25-20(16-5-3-4-6-17(16)24)21(30-14)22(28)27-11-9-26(10-12-27)18-13-15(23)7-8-19(18)29-2/h3-8,13H,9-12H2,1-2H3
InChIKeyVPRPGRDSJZNQEE-UHFFFAOYSA-N
MW429.88 g/mol
LogP4.41
Rot. Bonds4

About [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone

[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone (PubChem CID 71511182) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
PubChem CID71511182
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC Name[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2oc(C)nc2-c2ccccc2F)CC1
InChIInChI=1S/C22H21ClFN3O3/c1-14-25-20(16-5-3-4-6-17(16)24)21(30-14)22(28)27-11-9-26(10-12-27)18-13-15(23)7-8-19(18)29-2/h3-8,13H,9-12H2,1-2H3
InChIKeyVPRPGRDSJZNQEE-UHFFFAOYSA-N
XLogP4.41
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone (CID 71511182) is [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone is COc1ccc(Cl)cc1N1CCN(C(=O)c2oc(C)nc2-c2ccccc2F)CC1.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The InChIKey is VPRPGRDSJZNQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-14-25-20(16-5-3-4-6-17(16)24)21(30-14)22(28)27-11-9-26(10-12-27)18-13-15(23)7-8-19(18)29-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone has a molecular weight of 429.88 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 71511182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).