[4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

C22H20F3N3O3 — CID 66575915

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H20F3N3O3/c1-14-19(20(26-31-14)15-3-2-4-16(13-15)22(23,24)25)21(30)28-11-9-27(10-12-28)17-5-7-18(29)8-6-17/h2-8,13,29H,9-12H2,1H3
InChIKeyFCMQRYAMBMEYKB-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.34
Rot. Bonds3

About [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (PubChem CID 66575915) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
PubChem CID66575915
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H20F3N3O3/c1-14-19(20(26-31-14)15-3-2-4-16(13-15)22(23,24)25)21(30)28-11-9-27(10-12-28)17-5-7-18(29)8-6-17/h2-8,13,29H,9-12H2,1H3
InChIKeyFCMQRYAMBMEYKB-UHFFFAOYSA-N
XLogP4.34
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (CID 66575915) is [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is Cc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The InChIKey is FCMQRYAMBMEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-14-19(20(26-31-14)15-3-2-4-16(13-15)22(23,24)25)21(30)28-11-9-27(10-12-28)17-5-7-18(29)8-6-17/h2-8,13,29H,9-12H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone has a molecular weight of 431.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-[5-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 66575915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).